CID 5494
Tmb-8
Structural Information
- Molecular Formula
- C22H37NO5
- SMILES
- CCN(CC)CCCCCCCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
- InChI
- InChI=1S/C22H37NO5/c1-6-23(7-2)14-12-10-8-9-11-13-15-28-22(24)18-16-19(25-3)21(27-5)20(17-18)26-4/h16-17H,6-15H2,1-5H3
- InChIKey
- IBQMHBGFMLHHLE-UHFFFAOYSA-N
- Compound name
- 8-(diethylamino)octyl 3,4,5-trimethoxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 396.27446 | 200.7 |
[M+Na]+ | 418.25640 | 204.1 |
[M-H]- | 394.25990 | 204.3 |
[M+NH4]+ | 413.30100 | 212.7 |
[M+K]+ | 434.23034 | 203.4 |
[M+H-H2O]+ | 378.26444 | 191.7 |
[M+HCOO]- | 440.26538 | 222.6 |
[M+CH3COO]- | 454.28103 | 231.4 |
[M+Na-2H]- | 416.24185 | 198.4 |
[M]+ | 395.26663 | 212.8 |
[M]- | 395.26773 | 212.8 |