CID 222464

97-36-9

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CC1=CC(=C(C=C1)NC(=O)CC(=O)C)C

InChI

InChI=1S/C12H15NO2/c1-8-4-5-11(9(2)6-8)13-12(15)7-10(3)14/h4-6H,7H2,1-3H3,(H,13,15)

InChIKey

HGVIAKXYAZRSEG-UHFFFAOYSA-N

Compound name

N-(2,4-dimethylphenyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 796
Patents: 205.11028 Da
Monoisotopic Mass: 1.9
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]+	206.11756	146.6
[M+Na]+	228.09950	157.9
[M+NH4]+	223.14410	153.9
[M+K]+	244.07344	152.4
[M-H]-	204.10300	148.3
[M+Na-2H]-	226.08495	152.0
[M]+	205.10973	148.5
[M]-	205.11083	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe