CID 9882283
7-methyloctyl 7-methyloctanoate
Structural Information
- Molecular Formula
- C18H36O2
- SMILES
- CC(C)CCCCCCOC(=O)CCCCCC(C)C
- InChI
- InChI=1S/C18H36O2/c1-16(2)12-8-5-6-11-15-20-18(19)14-10-7-9-13-17(3)4/h16-17H,5-15H2,1-4H3
- InChIKey
- LHWUVOILCRBENG-UHFFFAOYSA-N
- Compound name
- 7-methyloctyl 7-methyloctanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 285.27883 | 180.2 |
[M+Na]+ | 307.26077 | 182.2 |
[M-H]- | 283.26427 | 178.5 |
[M+NH4]+ | 302.30537 | 196.1 |
[M+K]+ | 323.23471 | 180.5 |
[M+H-H2O]+ | 267.26881 | 173.7 |
[M+HCOO]- | 329.26975 | 197.7 |
[M+CH3COO]- | 343.28540 | 208.1 |
[M+Na-2H]- | 305.24622 | 177.0 |
[M]+ | 284.27100 | 186.2 |
[M]- | 284.27210 | 186.2 |