CID 131802542
Dg(i-18:0/i-13:0/0:0)
Structural Information
- Molecular Formula
- C34H66O5
- SMILES
- CC(C)CCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCC(C)C
- InChI
- InChI=1S/C34H66O5/c1-30(2)24-20-16-12-9-7-5-6-8-10-14-18-22-26-33(36)38-29-32(28-35)39-34(37)27-23-19-15-11-13-17-21-25-31(3)4/h30-32,35H,5-29H2,1-4H3/t32-/m0/s1
- InChIKey
- HVILBKMGJZMHKO-YTTGMZPUSA-N
- Compound name
- [(2S)-3-hydroxy-2-(11-methyldodecanoyloxy)propyl] 16-methylheptadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 555.49828 | 253.9 |
[M+Na]+ | 577.48022 | 254.4 |
[M+NH4]+ | 572.52482 | 256.4 |
[M+K]+ | 593.45416 | 253.9 |
[M-H]- | 553.48372 | 242.2 |
[M+Na-2H]- | 575.46567 | 253.9 |
[M]+ | 554.49045 | 250.9 |
[M]- | 554.49155 | 250.9 |
Literature stripe
Patent stripe
No patent data available for this compound.