CID 131777057
Tg(a-25:0/21:0/16:0)[rac]
Structural Information
- Molecular Formula
- C65H126O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
- InChI
- InChI=1S/C65H126O6/c1-5-8-10-12-14-16-18-20-21-22-26-30-34-38-42-46-50-54-58-65(68)71-62(59-69-63(66)56-52-48-44-40-36-31-19-17-15-13-11-9-6-2)60-70-64(67)57-53-49-45-41-37-33-29-27-24-23-25-28-32-35-39-43-47-51-55-61(4)7-3/h61-62H,5-60H2,1-4H3/t61?,62-/m1/s1
- InChIKey
- OENICQMDJDGDDE-TXUWJPHCSA-N
- Compound name
- [(2R)-2-henicosanoyloxy-3-hexadecanoyloxypropyl] 22-methyltetracosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1003.9627 | 347.3 |
[M+Na]+ | 1025.9447 | 349.3 |
[M-H]- | 1001.9482 | 327.5 |
[M+NH4]+ | 1020.9893 | 355.8 |
[M+K]+ | 1041.9186 | 363.1 |
[M+H-H2O]+ | 985.95270 | 347.4 |
[M+HCOO]- | 1047.9536 | 336.3 |
[M+CH3COO]- | 1061.9693 | 338.0 |
[M+Na-2H]- | 1023.9301 | 322.2 |
[M]+ | 1002.9549 | 350.9 |
[M]- | 1002.9560 | 350.9 |
Literature stripe
Patent stripe
No patent data available for this compound.