CID 131611572

2092496-07-4

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1CNC(=O)C2=CN=CC(=C21)C(=O)O
InChI
InChI=1S/C9H8N2O3/c12-8-6-3-10-4-7(9(13)14)5(6)1-2-11-8/h3-4H,1-2H2,(H,11,12)(H,13,14)
InChIKey
DVCIEDJCLANVDD-UHFFFAOYSA-N
Compound name
8-oxo-6,7-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0535 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 138.5
[M+Na]+ 215.042718 146.5
[M-H]- 191.046224 137.6
[M+NH4]+ 210.087323 154.8
[M+K]+ 231.016658 143.0
[M+H-H2O]+ 175.050760 131.7
[M+HCOO]- 237.051701 154.4
[M+CH3COO]- 251.067351 177.5
[M+Na-2H]- 213.028166 144.5
[M]+ 192.05295142 134.7
[M]- 192.05404858 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

No patent data available for this compound.