CID 20025

N-vinylacetanilide

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

CC(=O)N(C=C)C1=CC=CC=C1

InChI

InChI=1S/C10H11NO/c1-3-11(9(2)12)10-7-5-4-6-8-10/h3-8H,1H2,2H3

InChIKey

WUIIRPAMGBRKCV-UHFFFAOYSA-N

Compound name

N-ethenyl-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 601
Patents: 161.08406 Da
Monoisotopic Mass: 1.8
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]+	162.09134	133.6
[M+Na]+	184.07328	140.3
[M-H]-	160.07678	138.6
[M+NH4]+	179.11788	154.6
[M+K]+	200.04722	139.3
[M+H-H2O]+	144.08132	127.5
[M+HCOO]-	206.08226	159.1
[M+CH3COO]-	220.09791	183.1
[M+Na-2H]-	182.05873	139.7
[M]+	161.08351	133.7
[M]-	161.08461	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe