RIpred (Beta) is still undergoing development. Please feel free to explore and use the predictor. Please provide us with your feedback..

Displaying retention index compounds 21326 - 21350 of 1722868 in total
RIpred ID Structure Name Chemical Structure Derivatization Type
Base compound Mass
GC Column/Stationary Phase Retention Index
3b,12a-Dihydroxy-5b-cholanoic acid,2TMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@@]21CTMS536.3717Semi standard non polar3285.4995
3b,12a-Dihydroxy-5b-cholanoic acid,2TMS,isomer#3JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@@]21CTMS536.3717Semi standard non polar3308.271
3b,12a-Dihydroxy-5b-cholanoic acid,3TMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C)[C@@]21CTMS608.4112Semi standard non polar3270.3984
3b,12a-Dihydroxy-5b-cholanoic acid,1TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21CTBDMS506.3791Semi standard non polar3553.3845
3b,12a-Dihydroxy-5b-cholanoic acid,1TBDMS,isomer#2JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21CTBDMS506.3791Semi standard non polar3585.1748
3b,12a-Dihydroxy-5b-cholanoic acid,1TBDMS,isomer#3JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21CTBDMS506.3791Semi standard non polar3592.5366
3b,12a-Dihydroxy-5b-cholanoic acid,2TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21CTBDMS620.4656Semi standard non polar3785.22
3b,12a-Dihydroxy-5b-cholanoic acid,2TBDMS,isomer#2JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21CTBDMS620.4656Semi standard non polar3775.7417
3b,12a-Dihydroxy-5b-cholanoic acid,2TBDMS,isomer#3JsmolC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21CTBDMS620.4656Semi standard non polar3758.63
3b,12a-Dihydroxy-5b-cholanoic acid,3TBDMS,isomer#1JsmolC[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21CTBDMS734.5521Semi standard non polar3984.1072
3b,12a-Dihydroxy-5b-cholanoic acidJsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12CUnderivatized392.2927Standard polar3905.3838
3b,12a-Dihydroxy-5b-cholanoic acidJsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12CUnderivatized392.2927Standard non polar3315.4275
3b,12a-Dihydroxy-5b-cholanoic acidJsmol[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12CUnderivatized392.2927Semi standard non polar3477.9966
2-Furoylglycine,1TMS,isomer#1JsmolC[Si](C)(C)OC(=O)CNC(=O)C1=CC=CO1TMS241.077Semi standard non polar1639.1908
2-Furoylglycine,1TMS,isomer#2JsmolC[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=CO1TMS241.077Semi standard non polar1681.2875
2-Furoylglycine,1TBDMS,isomer#1JsmolCC(C)(C)[Si](C)(C)OC(=O)CNC(=O)C1=CC=CO1TBDMS283.124Semi standard non polar1879.9722
2-Furoylglycine,1TBDMS,isomer#2JsmolCC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)C1=CC=CO1TBDMS283.124Semi standard non polar1926.4672
2-FuroylglycineJsmolOC(=O)CNC(=O)C1=CC=CO1Underivatized169.0375Standard polar2542.7974
2-Furoylglycine,2TMS,isomer#1JsmolC[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)CTMS313.1166Standard non polar1624.3033
2-Furoylglycine,2TBDMS,isomer#1JsmolCC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)C(C)(C)CTBDMS397.2105Standard non polar1995.7229
2-FuroylglycineJsmolOC(=O)CNC(=O)C1=CC=CO1Underivatized169.0375Standard non polar1540.4993
2-FuroylglycineJsmolOC(=O)CNC(=O)C1=CC=CO1Underivatized169.0375Semi standard non polar1648.3094
2-Furoylglycine,2TMS,isomer#1JsmolC[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)CTMS313.1166Semi standard non polar1661.4604
2-Furoylglycine,2TBDMS,isomer#1JsmolCC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)C(C)(C)CTBDMS397.2105Semi standard non polar2141.9326
2-Furoylglycine,2TMS,isomer#1JsmolC[Si](C)(C)OC(=O)CN(C(=O)C1=CC=CO1)[Si](C)(C)CTMS313.1166Standard polar1998.4369
Displaying retention index compounds 21326 - 21350 of 1722868 in total