CID 481022

135397-32-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CCC1=C(NC(=O)C(=C1)N)C

InChI

InChI=1S/C8H12N2O/c1-3-6-4-7(9)8(11)10-5(6)2/h4H,3,9H2,1-2H3,(H,10,11)

InChIKey

PUVGXWZUVWMKOV-UHFFFAOYSA-N

Compound name

3-amino-5-ethyl-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 152.09496 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]+	153.10224	130.9
[M+Na]+	175.08418	140.6
[M-H]-	151.08768	132.3
[M+NH4]+	170.12878	150.4
[M+K]+	191.05812	137.4
[M+H-H2O]+	135.09222	125.1
[M+HCOO]-	197.09316	153.8
[M+CH3COO]-	211.10881	177.2
[M+Na-2H]-	173.06963	136.2
[M]+	152.09441	129.2
[M]-	152.09551	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe