CID 131776378
Tg(a-25:0/i-22:0/i-22:0)[rac]
Structural Information
- Molecular Formula
- C72H140O6
- SMILES
- CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C72H140O6/c1-7-68(6)60-54-48-42-36-30-24-18-10-8-9-11-19-25-31-37-43-49-55-61-70(73)76-64-69(78-72(75)63-57-51-45-39-33-27-21-15-13-17-23-29-35-41-47-53-59-67(4)5)65-77-71(74)62-56-50-44-38-32-26-20-14-12-16-22-28-34-40-46-52-58-66(2)3/h66-69H,7-65H2,1-6H3/t68?,69-/m0/s1
- InChIKey
- UINQNMATNBABOV-DLSSZJRNSA-N
- Compound name
- [(2S)-2,3-bis(20-methylhenicosanoyloxy)propyl] 22-methyltetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1102.0723 | 363.7 |
[M+Na]+ | 1124.0542 | 365.9 |
[M-H]- | 1100.0577 | 344.7 |
[M+NH4]+ | 1119.0988 | 375.7 |
[M+K]+ | 1140.0282 | 383.4 |
[M+H-H2O]+ | 1084.0623 | 364.7 |
[M+HCOO]- | 1146.0632 | 345.9 |
[M+CH3COO]- | 1160.0789 | 353.9 |
[M+Na-2H]- | 1122.0397 | 338.1 |
[M]+ | 1101.0645 | 369.6 |
[M]- | 1101.0655 | 369.6 |
Literature stripe
Patent stripe
No patent data available for this compound.