CID 104516

4-hydroxy-1,5-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC2=C(C(=O)C(=CN2)C(=O)O)N=C1
InChI
InChI=1S/C9H6N2O3/c12-8-5(9(13)14)4-11-6-2-1-3-10-7(6)8/h1-4H,(H,11,12)(H,13,14)
InChIKey
LODIKMSUDZMCFF-UHFFFAOYSA-N
Compound name
4-oxo-1H-1,5-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

219
Patents

190.03784 Da
Monoisotopic Mass

1.1
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

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