CID 67907967

1554186-18-3

Structural Information

Molecular Formula

C₉H₆N₂O₃

SMILES

C1=CC(=NC2=C1C=CC(=O)N2)C(=O)O

InChI

InChI=1S/C9H6N2O3/c12-7-4-2-5-1-3-6(9(13)14)10-8(5)11-7/h1-4H,(H,13,14)(H,10,11,12)

InChIKey

WIEBWJLPLVAEJI-UHFFFAOYSA-N

Compound name

7-oxo-8H-1,8-naphthyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 190.03784 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.04512	135.9
[M+Na]+	213.02706	145.9
[M-H]-	189.03056	135.8
[M+NH4]+	208.07166	152.5
[M+K]+	229.00100	142.0
[M+H-H2O]+	173.03510	129.1
[M+HCOO]-	235.03604	154.7
[M+CH3COO]-	249.05169	176.9
[M+Na-2H]-	211.01251	143.9
[M]+	190.03729	135.0
[M]-	190.03839	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe