CID 5312904
12-oxo-5e,8e,10z-heptadecatrienoic acid
Structural Information
- Molecular Formula
- C17H26O3
- SMILES
- CCCCCC(=O)/C=C\C=C\C/C=C/CCCC(=O)O
- InChI
- InChI=1S/C17H26O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/b7-5+,8-6+,14-11-
- InChIKey
- BEHRKNVAYQNKGG-XTYDYNBASA-N
- Compound name
- (5E,8E,10Z)-12-oxoheptadeca-5,8,10-trienoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 279.19548 | 172.0 |
[M+Na]+ | 301.17742 | 175.5 |
[M-H]- | 277.18092 | 169.2 |
[M+NH4]+ | 296.22202 | 187.3 |
[M+K]+ | 317.15136 | 170.8 |
[M+H-H2O]+ | 261.18546 | 166.0 |
[M+HCOO]- | 323.18640 | 190.5 |
[M+CH3COO]- | 337.20205 | 198.8 |
[M+Na-2H]- | 299.16287 | 170.4 |
[M]+ | 278.18765 | 174.9 |
[M]- | 278.18875 | 174.9 |
Literature stripe
Patent stripe
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