CID 17815189
265102-35-0
Structural Information
- Molecular Formula
- C11H13NO2
- SMILES
- C1CC2=C(CNC1)C=C(C=C2)C(=O)O
- InChI
- InChI=1S/C11H13NO2/c13-11(14)9-4-3-8-2-1-5-12-7-10(8)6-9/h3-4,6,12H,1-2,5,7H2,(H,13,14)
- InChIKey
- LEQHAGKSIRYJDT-UHFFFAOYSA-N
- Compound name
- 2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 192.10192 | 137.4 |
[M+Na]+ | 214.08386 | 142.0 |
[M-H]- | 190.08736 | 138.8 |
[M+NH4]+ | 209.12846 | 154.0 |
[M+K]+ | 230.05780 | 142.9 |
[M+H-H2O]+ | 174.09190 | 132.1 |
[M+HCOO]- | 236.09284 | 153.3 |
[M+CH3COO]- | 250.10849 | 180.1 |
[M+Na-2H]- | 212.06931 | 142.9 |
[M]+ | 191.09409 | 130.0 |
[M]- | 191.09519 | 130.0 |
Literature stripe
No literature data available for this compound.