CID 347702

2',4'-dimethylpropionanilide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCC(=O)NC1=C(C=C(C=C1)C)C

InChI

InChI=1S/C11H15NO/c1-4-11(13)12-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3,(H,12,13)

InChIKey

HQYJBDRADQYZIZ-UHFFFAOYSA-N

Compound name

N-(2,4-dimethylphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 177.11537 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]+	178.12265	138.8
[M+Na]+	200.10459	146.5
[M-H]-	176.10809	142.9
[M+NH4]+	195.14919	159.3
[M+K]+	216.07853	144.5
[M+H-H2O]+	160.11263	133.1
[M+HCOO]-	222.11357	163.2
[M+CH3COO]-	236.12922	185.8
[M+Na-2H]-	198.09004	143.6
[M]+	177.11482	139.5
[M]-	177.11592	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe