CID 3702609

5'-acetyl-2'-methylacetanilide

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c1-7-4-5-10(8(2)13)6-11(7)12-9(3)14/h4-6H,1-3H3,(H,12,14)

InChIKey

RDJDCGIJXKDWIR-UHFFFAOYSA-N

Compound name

N-(5-acetyl-2-methylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 191.09464 Da
Monoisotopic Mass: 0.9
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]+	192.10192	142.1
[M+Na]+	214.08386	153.7
[M+NH4]+	209.12846	149.6
[M+K]+	230.05780	148.4
[M-H]-	190.08736	143.9
[M+Na-2H]-	212.06931	147.8
[M]+	191.09409	144.1
[M]-	191.09519	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe