CID 9543645
5,6,15-trihydroxy-7,9,13-eicosatrien-11-ynoic acid
Structural Information
- Molecular Formula
- C20H30O5
- SMILES
- CCCCCC(/C=C/C#C/C=C/C=C/C(C(CCCC(=O)O)O)O)O
- InChI
- InChI=1S/C20H30O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h5,7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b7-5+,13-9+,14-10+
- InChIKey
- FGNHRTMSQFGXDG-AWDXSQJBSA-N
- Compound name
- (7E,9E,13E)-5,6,15-trihydroxyicosa-7,9,13-trien-11-ynoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 351.21660 | 190.5 |
[M+Na]+ | 373.19854 | 193.5 |
[M-H]- | 349.20204 | 183.4 |
[M+NH4]+ | 368.24314 | 199.4 |
[M+K]+ | 389.17248 | 188.1 |
[M+H-H2O]+ | 333.20658 | 178.7 |
[M+HCOO]- | 395.20752 | 197.4 |
[M+CH3COO]- | 409.22317 | 209.9 |
[M+Na-2H]- | 371.18399 | 183.5 |
[M]+ | 350.20877 | 184.9 |
[M]- | 350.20987 | 184.9 |
Literature stripe
No literature data available for this compound.