CID 735908

1,6-naphthyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H6N2O2
SMILES
C1=CC(=NC2=C1C=NC=C2)C(=O)O
InChI
InChI=1S/C9H6N2O2/c12-9(13)8-2-1-6-5-10-4-3-7(6)11-8/h1-5H,(H,12,13)
InChIKey
OZZMWXQJCJUCEJ-UHFFFAOYSA-N
Compound name
1,6-naphthyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

429
Patents

174.04292 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.050196 133.0
[M+Na]+ 197.032138 142.4
[M-H]- 173.035644 133.9
[M+NH4]+ 192.076743 150.9
[M+K]+ 213.006078 139.4
[M+H-H2O]+ 157.040180 125.9
[M+HCOO]- 219.041121 153.0
[M+CH3COO]- 233.056771 176.8
[M+Na-2H]- 195.017586 142.3
[M]+ 174.04237142 132.8
[M]- 174.04346858 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe