CID 4962691
8-amino-3,4-dihydro-2h-1,5-benzodioxepine-7-carboxylic acid
Structural Information
- Molecular Formula
- C10H11NO4
- SMILES
- C1COC2=C(C=C(C(=C2)C(=O)O)N)OC1
- InChI
- InChI=1S/C10H11NO4/c11-7-5-9-8(4-6(7)10(12)13)14-2-1-3-15-9/h4-5H,1-3,11H2,(H,12,13)
- InChIKey
- QOVNJNQSODQCPG-UHFFFAOYSA-N
- Compound name
- 7-amino-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 210.07608 | 145.0 |
[M+Na]+ | 232.05802 | 153.8 |
[M+NH4]+ | 227.10262 | 151.4 |
[M+K]+ | 248.03196 | 151.8 |
[M-H]- | 208.06152 | 148.3 |
[M+Na-2H]- | 230.04347 | 147.8 |
[M]+ | 209.06825 | 147.0 |
[M]- | 209.06935 | 147.0 |
Literature stripe
No literature data available for this compound.