CID 21773182
7-methoxy-9-methylhexadecadienoic acid
Structural Information
- Molecular Formula
- C18H32O3
- SMILES
- CCCCCCC/C(=C/C(C/C=C/CCC(=O)O)OC)/C
- InChI
- InChI=1S/C18H32O3/c1-4-5-6-7-9-12-16(2)15-17(21-3)13-10-8-11-14-18(19)20/h8,10,15,17H,4-7,9,11-14H2,1-3H3,(H,19,20)/b10-8+,16-15+
- InChIKey
- RDADKZPYWXITRK-ZNNSQMGQSA-N
- Compound name
- (4E,8E)-7-methoxy-9-methylhexadeca-4,8-dienoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 297.24242 | 180.2 |
[M+Na]+ | 319.22436 | 182.4 |
[M-H]- | 295.22786 | 177.2 |
[M+NH4]+ | 314.26896 | 194.8 |
[M+K]+ | 335.19830 | 179.1 |
[M+H-H2O]+ | 279.23240 | 173.9 |
[M+HCOO]- | 341.23334 | 196.9 |
[M+CH3COO]- | 355.24899 | 205.0 |
[M+Na-2H]- | 317.20981 | 176.7 |
[M]+ | 296.23459 | 184.3 |
[M]- | 296.23569 | 184.3 |
Literature stripe
Patent stripe
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