CID 67456616

1013643-17-8

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=CC(=CN(C1=O)C)N

InChI

InChI=1S/C7H10N2O/c1-5-3-6(8)4-9(2)7(5)10/h3-4H,8H2,1-2H3

InChIKey

FRVNECZIBLUFEV-UHFFFAOYSA-N

Compound name

5-amino-1,3-dimethylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 138.07932 Da
Monoisotopic Mass: -0.2
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	125.3
[M+Na]+	161.068538	135.9
[M-H]-	137.072044	128.3
[M+NH4]+	156.113143	146.1
[M+K]+	177.042478	133.9
[M+H-H2O]+	121.076580	119.5
[M+HCOO]-	183.077521	150.1
[M+CH3COO]-	197.093171	176.7
[M+Na-2H]-	159.053986	131.8
[M]+	138.07877142	125.2
[M]-	138.07986858	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe