CID 220875

4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKey
ILNJBIQQAIIMEY-UHFFFAOYSA-N
Compound name
4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

2041
Patents

189.04259 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 135.3
[M+Na]+ 212.03181 144.9
[M-H]- 188.03531 136.5
[M+NH4]+ 207.07641 153.4
[M+K]+ 228.00575 141.0
[M+H-H2O]+ 172.03985 129.3
[M+HCOO]- 234.04079 155.2
[M+CH3COO]- 248.05644 177.1
[M+Na-2H]- 210.01726 142.8
[M]+ 189.04204 134.3
[M]- 189.04314 134.3
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