CID 82651141

2-[(methylamino)methyl]pyridin-4-ol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CNCC1=CC(=O)C=CN1

InChI

InChI=1S/C7H10N2O/c1-8-5-6-4-7(10)2-3-9-6/h2-4,8H,5H2,1H3,(H,9,10)

InChIKey

NTMFMGRUDZJRIP-UHFFFAOYSA-N

Compound name

2-(methylaminomethyl)-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 138.07932 Da
Monoisotopic Mass: -0.5
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]+	139.086596	125.9
[M+Na]+	161.068538	134.2
[M-H]-	137.072044	127.2
[M+NH4]+	156.113143	145.6
[M+K]+	177.042478	131.5
[M+H-H2O]+	121.076580	119.8
[M+HCOO]-	183.077521	149.8
[M+CH3COO]-	197.093171	172.4
[M+Na-2H]-	159.053986	134.4
[M]+	138.07877142	124.1
[M]-	138.07986858	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe