CID 68895931

Chembl4525761

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

CC1=CNC(=O)C(=C1OC)C

InChI

InChI=1S/C8H11NO2/c1-5-4-9-8(10)6(2)7(5)11-3/h4H,1-3H3,(H,9,10)

InChIKey

YKXFUOQZGXTJHK-UHFFFAOYSA-N

Compound name

4-methoxy-3,5-dimethyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 153.07898 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]+	154.08626	128.3
[M+Na]+	176.06820	138.8
[M-H]-	152.07170	130.3
[M+NH4]+	171.11280	148.3
[M+K]+	192.04214	136.7
[M+H-H2O]+	136.07624	122.8
[M+HCOO]-	198.07718	151.1
[M+CH3COO]-	212.09283	175.0
[M+Na-2H]-	174.05365	134.6
[M]+	153.07843	129.9
[M]-	153.07953	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe