CID 131816941
Tg(i-18:0/i-18:0/i-19:0)
Structural Information
- Molecular Formula
- C58H112O6
- SMILES
- CC(C)CCCCCCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C
- InChI
- InChI=1S/C58H112O6/c1-52(2)44-38-32-26-20-14-8-7-9-17-23-29-35-41-47-56(59)62-50-55(64-58(61)49-43-37-31-25-19-13-11-16-22-28-34-40-46-54(5)6)51-63-57(60)48-42-36-30-24-18-12-10-15-21-27-33-39-45-53(3)4/h52-55H,7-51H2,1-6H3/t55-/m1/s1
- InChIKey
- JYHXVFFJKMVFDM-KZRJWCEASA-N
- Compound name
- [(2R)-2,3-bis(16-methylheptadecanoyloxy)propyl] 17-methyloctadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 905.85318 | 325.4 |
[M+Na]+ | 927.83512 | 329.6 |
[M-H]- | 903.83862 | 311.2 |
[M+NH4]+ | 922.87972 | 337.1 |
[M+K]+ | 943.80906 | 341.6 |
[M+H-H2O]+ | 887.84316 | 327.3 |
[M+HCOO]- | 949.84410 | 312.1 |
[M+CH3COO]- | 963.85975 | 322.6 |
[M+Na-2H]- | 925.82057 | 304.2 |
[M]+ | 904.84535 | 328.7 |
[M]- | 904.84645 | 328.7 |
Literature stripe
Patent stripe
No patent data available for this compound.