CID 332488

2003-79-4

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)N2)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-9-7(10(13)14)5-6-3-1-2-4-8(6)11-9/h1-5H,(H,11,12)(H,13,14)
InChIKey
XOQQVKDBGLYPGH-UHFFFAOYSA-N
Compound name
2-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

3335
Patents

189.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 136.6
[M+Na]+ 212.03181 150.1
[M+NH4]+ 207.07641 144.1
[M+K]+ 228.00575 144.7
[M-H]- 188.03531 137.2
[M+Na-2H]- 210.01726 142.6
[M]+ 189.04204 138.5
[M]- 189.04314 138.5
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