CID 21873736

615568-70-2

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1CC(=O)NC2=C1C=CC(=N2)C(=O)O
InChI
InChI=1S/C9H8N2O3/c12-7-4-2-5-1-3-6(9(13)14)10-8(5)11-7/h1,3H,2,4H2,(H,13,14)(H,10,11,12)
InChIKey
FHLYVEYXTXOLGN-UHFFFAOYSA-N
Compound name
7-oxo-6,8-dihydro-5H-1,8-naphthyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

192.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 138.5
[M+Na]+ 215.04272 146.5
[M-H]- 191.04622 137.6
[M+NH4]+ 210.08732 154.8
[M+K]+ 231.01666 143.0
[M+H-H2O]+ 175.05076 131.7
[M+HCOO]- 237.05170 154.4
[M+CH3COO]- 251.06735 177.5
[M+Na-2H]- 213.02817 144.5
[M]+ 192.05295 134.7
[M]- 192.05405 134.7
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