CID 131756528
Chebi:185282
Structural Information
- Molecular Formula
- C56H110O5
- SMILES
- CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
- InChI
- InChI=1S/C56H110O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-37-40-43-46-49-55(57)60-53-54(61-56(58)50-47-44-41-38-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1
- InChIKey
- XTZWNDKREIRXJG-AXAMJWTMSA-N
- Compound name
- [(2R)-3-octadecoxy-2-pentadecanoyloxypropyl] icosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 863.84258 | 324.7 |
[M+Na]+ | 885.82452 | 323.1 |
[M+NH4]+ | 880.86912 | 325.6 |
[M+K]+ | 901.79846 | 327.0 |
[M-H]- | 861.82802 | 303.2 |
[M+Na-2H]- | 883.80997 | 317.1 |
[M]+ | 862.83475 | 319.5 |
[M]- | 862.83585 | 319.5 |
Literature stripe
Patent stripe
No patent data available for this compound.