CID 4128222

2'-ethoxypropionanilide

Structural Information

Molecular Formula

C₁₁H₁₅NO₂

SMILES

CCC(=O)NC1=CC=CC=C1OCC

InChI

InChI=1S/C11H15NO2/c1-3-11(13)12-9-7-5-6-8-10(9)14-4-2/h5-8H,3-4H2,1-2H3,(H,12,13)

InChIKey

PYDPZOFDFGFHJE-UHFFFAOYSA-N

Compound name

N-(2-ethoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 193.11028 Da
Monoisotopic Mass: 2.0
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]+	194.117556	142.6
[M+Na]+	216.099498	149.3
[M-H]-	192.103004	146.3
[M+NH4]+	211.144103	162.0
[M+K]+	232.073438	147.8
[M+H-H2O]+	176.107540	136.3
[M+HCOO]-	238.108481	167.3
[M+CH3COO]-	252.124131	186.7
[M+Na-2H]-	214.084946	148.1
[M]+	193.10973142	144.4
[M]-	193.11082858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe