CID 22251920
2,11-dimethyloctadecanoic acid
Structural Information
- Molecular Formula
- C20H40O2
- SMILES
- CCCCCCCC(C)CCCCCCCCC(C)C(=O)O
- InChI
- InChI=1S/C20H40O2/c1-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(3)20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
- InChIKey
- INEPFJOQBUBZAB-UHFFFAOYSA-N
- Compound name
- 2,11-dimethyloctadecanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 313.31011 | 189.6 |
[M+Na]+ | 335.29205 | 190.2 |
[M-H]- | 311.29555 | 186.0 |
[M+NH4]+ | 330.33665 | 203.5 |
[M+K]+ | 351.26599 | 187.1 |
[M+H-H2O]+ | 295.30009 | 182.9 |
[M+HCOO]- | 357.30103 | 204.9 |
[M+CH3COO]- | 371.31668 | 212.0 |
[M+Na-2H]- | 333.27750 | 184.8 |
[M]+ | 312.30228 | 194.5 |
[M]- | 312.30338 | 194.5 |