CID 5384118

63463-27-4

Structural Information

Molecular Formula
C10H7NO4
SMILES
C1=CC2=C(C=C1O)NC=C(C2=O)C(=O)O
InChI
InChI=1S/C10H7NO4/c12-5-1-2-6-8(3-5)11-4-7(9(6)13)10(14)15/h1-4,12H,(H,11,13)(H,14,15)
InChIKey
KSGSZGACXQALEU-UHFFFAOYSA-N
Compound name
7-hydroxy-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

205.0375 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04478 138.7
[M+Na]+ 228.02672 148.6
[M-H]- 204.03022 138.9
[M+NH4]+ 223.07132 155.6
[M+K]+ 244.00066 144.5
[M+H-H2O]+ 188.03476 132.9
[M+HCOO]- 250.03570 157.1
[M+CH3COO]- 264.05135 178.3
[M+Na-2H]- 226.01217 145.0
[M]+ 205.03695 137.7
[M]- 205.03805 137.7
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