CID 1488824

Methyl 3-aminoisonicotinate

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

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

InChIKey

XLQIGLBALJNHKR-UHFFFAOYSA-N

Compound name

methyl 3-aminopyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 305
Patents: 152.05858 Da
Monoisotopic Mass: 0.6
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