CID 154577319

2418658-54-3

Structural Information

Molecular Formula
C10H12N2O3
SMILES
COC(=O)C1=CNC(=O)C2=C1CCCN2
InChI
InChI=1S/C10H12N2O3/c1-15-10(14)7-5-12-9(13)8-6(7)3-2-4-11-8/h5,11H,2-4H2,1H3,(H,12,13)
InChIKey
YLGVQZMVLOQSRF-UHFFFAOYSA-N
Compound name
methyl 8-oxo-2,3,4,7-tetrahydro-1H-1,7-naphthyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.0848 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.092076 143.7
[M+Na]+ 231.074018 151.3
[M-H]- 207.077524 142.7
[M+NH4]+ 226.118623 159.6
[M+K]+ 247.047958 147.6
[M+H-H2O]+ 191.082060 136.7
[M+HCOO]- 253.083001 159.3
[M+CH3COO]- 267.098651 180.0
[M+Na-2H]- 229.059466 149.2
[M]+ 208.08425142 140.2
[M]- 208.08534858 140.2
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.