CID 737487

Methyl 6-aminonicotinate

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

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

InChI

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

InChIKey

JACPDLJUQLKABC-UHFFFAOYSA-N

Compound name

methyl 6-aminopyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 2228
Patents: 152.05858 Da
Monoisotopic Mass: 1.7
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]+	153.065856	129.1
[M+Na]+	175.047798	137.5
[M-H]-	151.051304	131.4
[M+NH4]+	170.092403	148.5
[M+K]+	191.021738	136.4
[M+H-H2O]+	135.055840	122.6
[M+HCOO]-	197.056781	153.1
[M+CH3COO]-	211.072431	176.5
[M+Na-2H]-	173.033246	135.7
[M]+	152.05803142	128.8
[M]-	152.05912858	128.8

Literature stripe

literature stripe

Patent stripe

patents stripe