CID 56936032
4-methyl-3-heptyl palmitoleate
Structural Information
- Molecular Formula
- C24H46O2
- SMILES
- CCCCCC/C=C\CCCCCCCC(=O)OC(CC)C(C)CCC
- InChI
- InChI=1S/C24H46O2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21-24(25)26-23(7-3)22(4)20-6-2/h12-13,22-23H,5-11,14-21H2,1-4H3/b13-12-
- InChIKey
- SXBQGMISTDXSCC-SEYXRHQNSA-N
- Compound name
- 4-methylheptan-3-yl (Z)-hexadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 367.35708 | 205.8 |
[M+Na]+ | 389.33902 | 205.7 |
[M-H]- | 365.34252 | 203.0 |
[M+NH4]+ | 384.38362 | 218.4 |
[M+K]+ | 405.31296 | 201.8 |
[M+H-H2O]+ | 349.34706 | 198.3 |
[M+HCOO]- | 411.34800 | 221.5 |
[M+CH3COO]- | 425.36365 | 224.2 |
[M+Na-2H]- | 387.32447 | 199.5 |
[M]+ | 366.34925 | 213.3 |
[M]- | 366.35035 | 213.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.