CID 586556

3-amino-2,6-dimethylpyridin-4-ol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=CC(=O)C(=C(N1)C)N

InChI

InChI=1S/C7H10N2O/c1-4-3-6(10)7(8)5(2)9-4/h3H,8H2,1-2H3,(H,9,10)

InChIKey

AGMYJMJWQBOGLE-UHFFFAOYSA-N

Compound name

3-amino-2,6-dimethyl-1H-pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 138.07932 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]+	139.086596	126.3
[M+Na]+	161.068538	136.5
[M-H]-	137.072044	127.9
[M+NH4]+	156.113143	146.3
[M+K]+	177.042478	133.5
[M+H-H2O]+	121.076580	120.8
[M+HCOO]-	183.077521	149.5
[M+CH3COO]-	197.093171	174.1
[M+Na-2H]-	159.053986	132.2
[M]+	138.07877142	124.3
[M]-	138.07986858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe