CID 85655

16960-49-9

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

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

InChI

InChI=1S/C11H13NO2/c1-3-11(14)9-4-6-10(7-5-9)12-8(2)13/h4-7H,3H2,1-2H3,(H,12,13)

InChIKey

JGCDYYAXNUYBHB-UHFFFAOYSA-N

Compound name

N-(4-propanoylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 83
Patents: 191.09464 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]+	192.101916	141.5
[M+Na]+	214.083858	148.2
[M-H]-	190.087364	145.3
[M+NH4]+	209.128463	160.8
[M+K]+	230.057798	146.6
[M+H-H2O]+	174.091900	135.4
[M+HCOO]-	236.092841	165.3
[M+CH3COO]-	250.108491	186.7
[M+Na-2H]-	212.069306	145.7
[M]+	191.09409142	141.9
[M]-	191.09518858	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe