CID 94894

N-phenethylpropionamide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CCC(=O)NCCC1=CC=CC=C1

InChI

InChI=1S/C11H15NO/c1-2-11(13)12-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)

InChIKey

IABUULYQQIHCIL-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 172
Patents: 177.11537 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]+	178.12265	140.0
[M+Na]+	200.10459	145.7
[M-H]-	176.10809	143.2
[M+NH4]+	195.14919	159.7
[M+K]+	216.07853	143.7
[M+H-H2O]+	160.11263	133.6
[M+HCOO]-	222.11357	164.4
[M+CH3COO]-	236.12922	183.5
[M+Na-2H]-	198.09004	146.1
[M]+	177.11482	139.9
[M]-	177.11592	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe