CID 440984
5,6-dihydroquinoline-2,5,6-triol
Structural Information
- Molecular Formula
- C9H9NO3
- SMILES
- C1=CC2=C(C=CC(=O)N2)C(C1O)O
- InChI
- InChI=1S/C9H9NO3/c11-7-3-2-6-5(9(7)13)1-4-8(12)10-6/h1-4,7,9,11,13H,(H,10,12)
- InChIKey
- HPQLNKXDNOVXAK-UHFFFAOYSA-N
- Compound name
- 5,6-dihydroxy-5,6-dihydro-1H-quinolin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 180.06552 | 133.9 |
[M+Na]+ | 202.04746 | 143.5 |
[M-H]- | 178.05096 | 133.8 |
[M+NH4]+ | 197.09206 | 152.1 |
[M+K]+ | 218.02140 | 139.2 |
[M+H-H2O]+ | 162.05550 | 128.4 |
[M+HCOO]- | 224.05644 | 151.9 |
[M+CH3COO]- | 238.07209 | 173.2 |
[M+Na-2H]- | 200.03291 | 141.0 |
[M]+ | 179.05769 | 131.0 |
[M]- | 179.05879 | 131.0 |
Literature stripe
Patent stripe
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