CID 154577635

2418670-63-8

Structural Information

Molecular Formula
C10H8N2O3
SMILES
COC(=O)C1=CNC(=O)C2=C1C=CC=N2
InChI
InChI=1S/C10H8N2O3/c1-15-10(14)7-5-12-9(13)8-6(7)3-2-4-11-8/h2-5H,1H3,(H,12,13)
InChIKey
QTSZBVBOFGRFRT-UHFFFAOYSA-N
Compound name
methyl 8-oxo-7H-1,7-naphthyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 140.1
[M+Na]+ 227.04272 150.2
[M-H]- 203.04622 141.2
[M+NH4]+ 222.08732 157.0
[M+K]+ 243.01666 146.9
[M+H-H2O]+ 187.05076 132.8
[M+HCOO]- 249.05170 160.1
[M+CH3COO]- 263.06735 181.7
[M+Na-2H]- 225.02817 148.1
[M]+ 204.05295 141.3
[M]- 204.05405 141.3
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.