CID 5312640
13z,17-octadecadiene-9,11-diynoic acid
Structural Information
- Molecular Formula
- C18H24O2
- SMILES
- C=CCC/C=C\C#CC#CCCCCCCCC(=O)O
- InChI
- InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5-6H,1,3-4,11-17H2,(H,19,20)/b6-5-
- InChIKey
- GYLJVPBWGZUNMB-WAYWQWQTSA-N
- Compound name
- (13Z)-octadeca-13,17-dien-9,11-diynoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 273.18492 | 170.2 |
[M+Na]+ | 295.16686 | 177.8 |
[M-H]- | 271.17036 | 169.5 |
[M+NH4]+ | 290.21146 | 180.8 |
[M+K]+ | 311.14080 | 172.2 |
[M+H-H2O]+ | 255.17490 | 156.4 |
[M+HCOO]- | 317.17584 | 177.4 |
[M+CH3COO]- | 331.19149 | 218.2 |
[M+Na-2H]- | 293.15231 | 168.4 |
[M]+ | 272.17709 | 163.7 |
[M]- | 272.17819 | 163.7 |
Literature stripe
Patent stripe
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