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]+ 209.09208 143.7
[M+Na]+ 231.07402 151.3
[M-H]- 207.07752 142.7
[M+NH4]+ 226.11862 159.6
[M+K]+ 247.04796 147.6
[M+H-H2O]+ 191.08206 136.7
[M+HCOO]- 253.08300 159.3
[M+CH3COO]- 267.09865 180.0
[M+Na-2H]- 229.05947 149.2
[M]+ 208.08425 140.2
[M]- 208.08535 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.