CID 5373672

4-hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKey
WHJTTWIMQIGVJK-UHFFFAOYSA-N
Compound name
7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

204.0535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.5
[M+Na]+ 227.04272 151.0
[M-H]- 203.04622 140.7
[M+NH4]+ 222.08732 156.9
[M+K]+ 243.01666 146.9
[M+H-H2O]+ 187.05076 133.8
[M+HCOO]- 249.05170 159.0
[M+CH3COO]- 263.06735 181.2
[M+Na-2H]- 225.02817 147.3
[M]+ 204.05295 140.4
[M]- 204.05405 140.4
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