CID 3445
3-amino-2,3-dihydrobenzoic acid
Structural Information
- Molecular Formula
- C7H9NO2
- SMILES
- C1C(C=CC=C1C(=O)O)N
- InChI
- InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)
- InChIKey
- KFNRJXCQEJIBER-UHFFFAOYSA-N
- Compound name
- 5-aminocyclohexa-1,3-diene-1-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 140.07060 | 126.7 |
[M+Na]+ | 162.05254 | 133.6 |
[M-H]- | 138.05604 | 128.7 |
[M+NH4]+ | 157.09714 | 147.1 |
[M+K]+ | 178.02648 | 131.9 |
[M+H-H2O]+ | 122.06058 | 121.5 |
[M+HCOO]- | 184.06152 | 149.0 |
[M+CH3COO]- | 198.07717 | 172.3 |
[M+Na-2H]- | 160.03799 | 131.7 |
[M]+ | 139.06277 | 122.7 |
[M]- | 139.06387 | 122.7 |