CID 19779201
Chebi:232331
Structural Information
- Molecular Formula
- C6H7NO
- SMILES
- C1=CC(=O)C=CC1N
- InChI
- InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-5H,7H2
- InChIKey
- HPCCCPRLWQADFE-UHFFFAOYSA-N
- Compound name
- 4-aminocyclohexa-2,5-dien-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 110.06004 | 117.8 |
[M+Na]+ | 132.04198 | 125.8 |
[M-H]- | 108.04549 | 121.4 |
[M+NH4]+ | 127.08659 | 140.3 |
[M+K]+ | 148.01592 | 124.4 |
[M+H-H2O]+ | 92.050025 | 112.7 |
[M+HCOO]- | 154.05097 | 142.8 |
[M+CH3COO]- | 168.06662 | 168.9 |
[M+Na-2H]- | 130.02743 | 125.3 |
[M]+ | 109.05222 | 114.5 |
[M]- | 109.05331 | 114.5 |