CID 2302267

16151-14-7

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

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

InChI

InChI=1S/C9H11NO2/c1-5-4-6(2)10-9(12)8(5)7(3)11/h4H,1-3H3,(H,10,12)

InChIKey

FPZYYMHZCULYSO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
Patents: 165.07898 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]+	166.08626	131.2
[M+Na]+	188.06820	141.4
[M-H]-	164.07170	133.3
[M+NH4]+	183.11280	150.7
[M+K]+	204.04214	138.9
[M+H-H2O]+	148.07624	125.8
[M+HCOO]-	210.07718	152.9
[M+CH3COO]-	224.09283	178.0
[M+Na-2H]-	186.05365	135.8
[M]+	165.07843	131.9
[M]-	165.07953	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe