CID 71777751

2138539-37-2

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC2=C(C(=O)NC=C2C(=O)O)N=C1
InChI
InChI=1S/C9H6N2O3/c12-8-7-5(2-1-3-10-7)6(4-11-8)9(13)14/h1-4H,(H,11,12)(H,13,14)
InChIKey
SIDHUTDNQWEIQE-UHFFFAOYSA-N
Compound name
8-oxo-7H-1,7-naphthyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.03784 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 136.9
[M+Na]+ 213.02706 150.4
[M+NH4]+ 208.07166 143.6
[M+K]+ 229.00100 145.4
[M-H]- 189.03056 136.6
[M+Na-2H]- 211.01251 142.6
[M]+ 190.03729 138.5
[M]- 190.03839 138.5
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.