CID 5479439

3,5,8-trihydroxy-1h-quinolin-4-one

Structural Information

Molecular Formula
C9H7NO4
SMILES
C1=CC(=C2C(=C1O)C(=O)C(=CN2)O)O
InChI
InChI=1S/C9H7NO4/c11-4-1-2-5(12)8-7(4)9(14)6(13)3-10-8/h1-3,11-13H,(H,10,14)
InChIKey
WXBCVQJUZIAXDB-UHFFFAOYSA-N
Compound name
3,5,8-trihydroxy-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

193.0375 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 136.0
[M+Na]+ 216.026718 146.9
[M-H]- 192.030224 135.3
[M+NH4]+ 211.071323 153.2
[M+K]+ 232.000658 142.3
[M+H-H2O]+ 176.034760 130.8
[M+HCOO]- 238.035701 154.1
[M+CH3COO]- 252.051351 174.1
[M+Na-2H]- 214.012166 142.9
[M]+ 193.03695142 134.6
[M]- 193.03804858 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe