CID 250810

6-methoxynicotinamide

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

COC1=NC=C(C=C1)C(=O)N

InChI

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

InChIKey

KXDSMFBEVSJYRF-UHFFFAOYSA-N

Compound name

6-methoxypyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 175
Patents: 152.05858 Da
Monoisotopic Mass: 1.4
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	128.8
[M+Na]+	175.04780	137.1
[M-H]-	151.05130	131.1
[M+NH4]+	170.09240	148.1
[M+K]+	191.02174	136.1
[M+H-H2O]+	135.05584	122.3
[M+HCOO]-	197.05678	152.8
[M+CH3COO]-	211.07243	177.2
[M+Na-2H]-	173.03325	135.5
[M]+	152.05803	128.7
[M]-	152.05913	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe