CID 5491788
2h-isoquinolin-1-one, 6,8-dihydroxy-
Structural Information
- Molecular Formula
- C9H7NO3
- SMILES
- C1=CNC(=O)C2=C(C=C(C=C21)O)O
- InChI
- InChI=1S/C9H7NO3/c11-6-3-5-1-2-10-9(13)8(5)7(12)4-6/h1-4,11-12H,(H,10,13)
- InChIKey
- UJOQYPUDGCNYSS-UHFFFAOYSA-N
- Compound name
- 6,8-dihydroxy-2H-isoquinolin-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 178.04987 | 132.4 |
[M+Na]+ | 200.03181 | 143.0 |
[M-H]- | 176.03531 | 132.7 |
[M+NH4]+ | 195.07641 | 150.8 |
[M+K]+ | 216.00575 | 138.5 |
[M+H-H2O]+ | 160.03985 | 126.9 |
[M+HCOO]- | 222.04079 | 151.9 |
[M+CH3COO]- | 236.05644 | 172.8 |
[M+Na-2H]- | 198.01726 | 140.5 |
[M]+ | 177.04204 | 131.0 |
[M]- | 177.04314 | 131.0 |
Literature stripe
No literature data available for this compound.