CID 70143

N-phenethylacetamide

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)

InChIKey

MODKMHXGCGKTLE-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 891
Patents: 163.09972 Da
Monoisotopic Mass: 1.5
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]+	164.10700	136.0
[M+Na]+	186.08894	147.8
[M+NH4]+	181.13354	144.6
[M+K]+	202.06288	141.0
[M-H]-	162.09244	138.7
[M+Na-2H]-	184.07439	143.3
[M]+	163.09917	138.3
[M]-	163.10027	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe