CID 50989136

Methyl 1,5-naphthyridine-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

COC(=O)C1=CC2=C(C=CC=N2)N=C1

InChI

InChI=1S/C10H8N2O2/c1-14-10(13)7-5-9-8(12-6-7)3-2-4-11-9/h2-6H,1H3

InChIKey

NFTLJZNVHGAEDC-UHFFFAOYSA-N

Compound name

methyl 1,5-naphthyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 188.05858 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.065856	137.4
[M+Na]+	211.047798	146.8
[M-H]-	187.051304	139.5
[M+NH4]+	206.092403	155.4
[M+K]+	227.021738	144.4
[M+H-H2O]+	171.055840	129.7
[M+HCOO]-	233.056781	158.5
[M+CH3COO]-	247.072431	181.7
[M+Na-2H]-	209.033246	146.6
[M]+	188.05803142	139.3
[M]-	188.05912858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe