CID 571764

N-(2-ethylphenyl)-3-oxobutanamide

Structural Information

Molecular Formula

C₁₂H₁₅NO₂

SMILES

CCC1=CC=CC=C1NC(=O)CC(=O)C

InChI

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

InChIKey

BSGZZIRKDQLKBD-UHFFFAOYSA-N

Compound name

N-(2-ethylphenyl)-3-oxobutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 205.11028 Da
Monoisotopic Mass: 1.7
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	147.0
[M+Na]+	228.09950	157.9
[M+NH4]+	223.14410	154.3
[M+K]+	244.07344	152.2
[M-H]-	204.10300	148.6
[M+Na-2H]-	226.08495	152.5
[M]+	205.10973	148.7
[M]-	205.11083	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe