CID 162504
Dodecyl decanoate
Structural Information
- Molecular Formula
- C22H44O2
- SMILES
- CCCCCCCCCCCCOC(=O)CCCCCCCCC
- InChI
- InChI=1S/C22H44O2/c1-3-5-7-9-11-12-13-15-17-19-21-24-22(23)20-18-16-14-10-8-6-4-2/h3-21H2,1-2H3
- InChIKey
- MNOODXPYABBZMC-UHFFFAOYSA-N
- Compound name
- dodecyl decanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 341.34142 | 197.1 |
[M+Na]+ | 363.32336 | 197.8 |
[M-H]- | 339.32686 | 194.4 |
[M+NH4]+ | 358.36796 | 210.9 |
[M+K]+ | 379.29730 | 194.2 |
[M+H-H2O]+ | 323.33140 | 189.6 |
[M+HCOO]- | 385.33234 | 215.3 |
[M+CH3COO]- | 399.34799 | 218.4 |
[M+Na-2H]- | 361.30881 | 194.3 |
[M]+ | 340.33359 | 206.0 |
[M]- | 340.33469 | 206.0 |