CID 23626633
Chembl253132
Structural Information
- Molecular Formula
- C23H38O3
- SMILES
- CCCCCC[C@@H](C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O)O
- InChI
- InChI=1S/C23H38O3/c1-2-3-4-12-15-21(24)16-13-10-8-6-5-7-9-11-14-20-17-22(25)19-23(26)18-20/h10,13,17-19,21,24-26H,2-9,11-12,14-16H2,1H3/b13-10-/t21-/m0/s1
- InChIKey
- QKJHTDPOTJRZOH-DGDFFNOKSA-N
- Compound name
- 5-[(Z,11S)-11-hydroxyheptadec-8-enyl]benzene-1,3-diol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 363.28938 | 196.8 |
[M+Na]+ | 385.27132 | 198.6 |
[M-H]- | 361.27482 | 194.2 |
[M+NH4]+ | 380.31592 | 207.6 |
[M+K]+ | 401.24526 | 192.2 |
[M+H-H2O]+ | 345.27936 | 189.2 |
[M+HCOO]- | 407.28030 | 211.8 |
[M+CH3COO]- | 421.29595 | 213.4 |
[M+Na-2H]- | 383.25677 | 193.3 |
[M]+ | 362.28155 | 199.7 |
[M]- | 362.28265 | 199.7 |
Literature stripe
Patent stripe
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