CID 72226358

3-(aminomethyl)pyridin-4-ol

Structural Information

Molecular Formula

SMILES

C1=CNC=C(C1=O)CN

InChI

InChI=1S/C6H8N2O/c7-3-5-4-8-2-1-6(5)9/h1-2,4H,3,7H2,(H,8,9)

InChIKey

KISFAWJWOPEDMS-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 124.06366 Da
Monoisotopic Mass: -0.4
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]+	125.07094	122.1
[M+Na]+	147.05288	134.3
[M+NH4]+	142.09748	130.1
[M+K]+	163.02682	128.7
[M-H]-	123.05638	123.6
[M+Na-2H]-	145.03833	129.0
[M]+	124.06311	124.0
[M]-	124.06421	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.