CID 12457877

67515-76-8

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

COC(=O)C1=NC=C(C=C1)N

InChI

InChI=1S/C7H8N2O2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,8H2,1H3

InChIKey

LJYSUEZSIXOJFK-UHFFFAOYSA-N

Compound name

methyl 5-aminopyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 612
Patents: 152.05858 Da
Monoisotopic Mass: -0.3
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]+	153.06586	129.5
[M+Na]+	175.04780	141.2
[M+NH4]+	170.09240	137.0
[M+K]+	191.02174	136.4
[M-H]-	151.05130	130.7
[M+Na-2H]-	173.03325	135.9
[M]+	152.05803	131.2
[M]-	152.05913	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe