CID 100993
59231-37-7
Structural Information
- Molecular Formula
- C22H44O2
- SMILES
- CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C
- InChI
- InChI=1S/C22H44O2/c1-19(2)15-13-11-9-7-8-10-12-14-16-24-21(23)17-20(3)18-22(4,5)6/h19-20H,7-18H2,1-6H3
- InChIKey
- WAYINTBTZWQNSN-UHFFFAOYSA-N
- Compound name
- 11-methyldodecyl 3,5,5-trimethylhexanoate
- 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 | 198.0 |
[M-H]- | 339.32686 | 195.1 |
[M+NH4]+ | 358.36796 | 211.1 |
[M+K]+ | 379.29730 | 195.8 |
[M+H-H2O]+ | 323.33140 | 190.7 |
[M+HCOO]- | 385.33234 | 211.9 |
[M+CH3COO]- | 399.34799 | 219.6 |
[M+Na-2H]- | 361.30881 | 192.8 |
[M]+ | 340.33359 | 204.2 |
[M]- | 340.33469 | 204.2 |
Literature stripe
No literature data available for this compound.