CID 131807301
Tg(a-13:0/a-25:0/a-17:0)[rac]
Structural Information
- Molecular Formula
- C58H112O6
- SMILES
- CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC(C)CC)COC(=O)CCCCCCCCC(C)CC
- InChI
- InChI=1S/C58H112O6/c1-7-52(4)44-38-32-26-22-18-16-14-12-10-11-13-15-17-19-25-29-37-43-49-58(61)64-55(51-63-57(60)48-42-36-31-30-34-40-46-54(6)9-3)50-62-56(59)47-41-35-28-24-21-20-23-27-33-39-45-53(5)8-2/h52-55H,7-51H2,1-6H3/t52?,53?,54?,55-/m1/s1
- InChIKey
- IAJFGUVILPPCQA-ZVOKIFKUSA-N
- Compound name
- [(2R)-1-(10-methyldodecanoyloxy)-3-(14-methylhexadecanoyloxy)propan-2-yl] 22-methyltetracosanoate
- 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.