CID 86289851
1355681-23-0
Structural Information
- Molecular Formula
- C21H40O7
- SMILES
- C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCC[C@H](CC(=O)O)O)O)O
- InChI
- InChI=1S/C21H40O7/c1-16-18(23)15-19(24)21(28-16)27-13-11-9-7-5-3-2-4-6-8-10-12-17(22)14-20(25)26/h16-19,21-24H,2-15H2,1H3,(H,25,26)/t16-,17+,18+,19+,21+/m0/s1
- InChIKey
- CQOIGQHIJMHXGX-HMPZBHLVSA-N
- Compound name
- (3R)-15-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxypentadecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 405.28468 | 202.7 |
[M+Na]+ | 427.26662 | 202.0 |
[M-H]- | 403.27012 | 198.8 |
[M+NH4]+ | 422.31122 | 209.3 |
[M+K]+ | 443.24056 | 199.9 |
[M+H-H2O]+ | 387.27466 | 195.2 |
[M+HCOO]- | 449.27560 | 211.4 |
[M+CH3COO]- | 463.29125 | 218.1 |
[M+Na-2H]- | 425.25207 | 196.8 |
[M]+ | 404.27685 | 205.2 |
[M]- | 404.27795 | 205.2 |