CID 131770852
Tg(19:0/21:0/14:0)
Structural Information
- Molecular Formula
- C57H110O6
- SMILES
- CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC
- InChI
- InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-36-39-42-45-48-51-57(60)63-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-30-27-25-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/t54-/m1/s1
- InChIKey
- PZEACRJKNHQAIO-AXAMJWTMSA-N
- Compound name
- [(2R)-1-nonadecanoyloxy-3-tetradecanoyloxypropan-2-yl] henicosanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 891.83754 | 325.2 |
[M+Na]+ | 913.81948 | 327.9 |
[M-H]- | 889.82298 | 306.7 |
[M+NH4]+ | 908.86408 | 332.0 |
[M+K]+ | 929.79342 | 337.9 |
[M+H-H2O]+ | 873.82752 | 325.3 |
[M+HCOO]- | 935.82846 | 319.4 |
[M+CH3COO]- | 949.84411 | 318.8 |
[M+Na-2H]- | 911.80493 | 302.1 |
[M]+ | 890.82971 | 327.3 |
[M]- | 890.83081 | 327.3 |
Literature stripe
Patent stripe
No patent data available for this compound.