CID 77116

N-(hydroxymethyl)nicotinamide

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

C1=CC(=CN=C1)C(=O)NCO

InChI

InChI=1S/C7H8N2O2/c10-5-9-7(11)6-2-1-3-8-4-6/h1-4,10H,5H2,(H,9,11)

InChIKey

JRFKIOFLCXKVOT-UHFFFAOYSA-N

Compound name

N-(hydroxymethyl)pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 1305
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	129.3
[M+Na]+	175.04780	136.3
[M-H]-	151.05130	130.4
[M+NH4]+	170.09240	147.9
[M+K]+	191.02174	134.7
[M+H-H2O]+	135.05584	122.8
[M+HCOO]-	197.05678	152.5
[M+CH3COO]-	211.07243	173.4
[M+Na-2H]-	173.03325	137.3
[M]+	152.05803	127.8
[M]-	152.05913	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe