CID 171120180
Fahfa(8:0/3-o-12:1(5z))
Structural Information
- Molecular Formula
- C20H36O4
- SMILES
- CCCCCCCC(=O)OC(C/C=C\CCCCCC)CC(=O)O
- InChI
- InChI=1S/C20H36O4/c1-3-5-7-9-10-12-13-15-18(17-19(21)22)24-20(23)16-14-11-8-6-4-2/h12-13,18H,3-11,14-17H2,1-2H3,(H,21,22)/b13-12-
- InChIKey
- UPISCMANMRYILX-SEYXRHQNSA-N
- Compound name
- (Z)-3-octanoyloxydodec-5-enoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 341.26863 | 191.9 |
[M+Na]+ | 363.25057 | 193.2 |
[M-H]- | 339.25407 | 188.4 |
[M+NH4]+ | 358.29517 | 204.6 |
[M+K]+ | 379.22451 | 190.0 |
[M+H-H2O]+ | 323.25861 | 185.0 |
[M+HCOO]- | 385.25955 | 208.2 |
[M+CH3COO]- | 399.27520 | 212.8 |
[M+Na-2H]- | 361.23602 | 187.4 |
[M]+ | 340.26080 | 198.2 |
[M]- | 340.26190 | 198.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.