CID 131771172
Tg(21:0/a-13:0/20:0)[rac]
Structural Information
- Molecular Formula
- C57H110O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC(C)CC
- InChI
- InChI=1S/C57H110O6/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41-45-49-56(59)62-52-54(63-57(60)50-46-42-38-37-39-43-47-53(4)7-3)51-61-55(58)48-44-40-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2/h53-54H,5-52H2,1-4H3/t53?,54-/m1/s1
- InChIKey
- PSWJQFHHOOXOMR-HVISTYRSSA-N
- Compound name
- [(2R)-3-icosanoyloxy-2-(10-methyldodecanoyloxy)propyl] henicosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 891.83754 | 330.7 |
[M+Na]+ | 913.81948 | 329.1 |
[M+NH4]+ | 908.86408 | 333.7 |
[M+K]+ | 929.79342 | 333.4 |
[M-H]- | 889.82298 | 312.5 |
[M+Na-2H]- | 911.80493 | 323.7 |
[M]+ | 890.82971 | 326.7 |
[M]- | 890.83081 | 326.7 |
Literature stripe
Patent stripe
No patent data available for this compound.