CID 133663628

1823897-23-9

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CNC(=O)C2=CN=CC(=C21)C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-8-6-3-10-4-7(9(13)14)5(6)1-2-11-8/h1-4H,(H,11,12)(H,13,14)
InChIKey
UTSYUIANXRPWQD-UHFFFAOYSA-N
Compound name
8-oxo-7H-2,7-naphthyridine-4-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 135.9
[M+Na]+ 213.02706 145.9
[M-H]- 189.03056 135.8
[M+NH4]+ 208.07166 152.5
[M+K]+ 229.00100 142.0
[M+H-H2O]+ 173.03510 129.1
[M+HCOO]- 235.03604 154.7
[M+CH3COO]- 249.05169 176.9
[M+Na-2H]- 211.01251 143.9
[M]+ 190.03729 135.0
[M]- 190.03839 135.0
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.