CID 17750172

5175-14-4

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC2=C(NC(=O)C(=C2)C(=O)O)N=C1
InChI
InChI=1S/C9H6N2O3/c12-8-6(9(13)14)4-5-2-1-3-10-7(5)11-8/h1-4H,(H,13,14)(H,10,11,12)
InChIKey
BFVQMOCETIVORP-UHFFFAOYSA-N
Compound name
2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

376
Patents

190.03784 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.045116 135.9
[M+Na]+ 213.027058 145.9
[M-H]- 189.030564 135.8
[M+NH4]+ 208.071663 152.5
[M+K]+ 229.000998 142.0
[M+H-H2O]+ 173.035100 129.1
[M+HCOO]- 235.036041 154.7
[M+CH3COO]- 249.051691 176.9
[M+Na-2H]- 211.012506 143.9
[M]+ 190.03729142 135.0
[M]- 190.03838858 135.0
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