CID 545664
6,10,13-trimethyltetradecyl isovalerate
Structural Information
- Molecular Formula
- C22H44O2
- SMILES
- CC(C)CCC(C)CCCC(C)CCCCCOC(=O)CC(C)C
- InChI
- InChI=1S/C22H44O2/c1-18(2)14-15-21(6)13-10-12-20(5)11-8-7-9-16-24-22(23)17-19(3)4/h18-21H,7-17H2,1-6H3
- InChIKey
- APHRWGIGLRUJLA-UHFFFAOYSA-N
- Compound name
- 6,10,13-trimethyltetradecyl 3-methylbutanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 341.34142 | 198.4 |
[M+Na]+ | 363.32336 | 198.4 |
[M-H]- | 339.32686 | 196.2 |
[M+NH4]+ | 358.36796 | 212.0 |
[M+K]+ | 379.29730 | 196.7 |
[M+H-H2O]+ | 323.33140 | 191.6 |
[M+HCOO]- | 385.33234 | 212.7 |
[M+CH3COO]- | 399.34799 | 221.5 |
[M+Na-2H]- | 361.30881 | 190.7 |
[M]+ | 340.33359 | 204.7 |
[M]- | 340.33469 | 204.7 |
Literature stripe
Patent stripe
No patent data available for this compound.