CID 346202

3'-acetamidoacetophenone

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

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

InChI

InChI=1S/C10H11NO2/c1-7(12)9-4-3-5-10(6-9)11-8(2)13/h3-6H,1-2H3,(H,11,13)

InChIKey

AFZTYHRVDOKRKV-UHFFFAOYSA-N

Compound name

N-(3-acetylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 421
Patents: 177.07898 Da
Monoisotopic Mass: 1.1
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]+	178.08626	136.8
[M+Na]+	200.06820	143.9
[M-H]-	176.07170	140.7
[M+NH4]+	195.11280	156.6
[M+K]+	216.04214	142.6
[M+H-H2O]+	160.07624	130.9
[M+HCOO]-	222.07718	160.9
[M+CH3COO]-	236.09283	183.6
[M+Na-2H]-	198.05365	141.6
[M]+	177.07843	136.8
[M]-	177.07953	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe