CID 205189

Phenylallylaminoacetamide

Structural Information

Molecular Formula

C₁₁H₁₄N₂O

SMILES

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

InChI

InChI=1S/C11H14N2O/c1-2-8-13(9-11(12)14)10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,14)

InChIKey

MQDPBSVJRDMZSU-UHFFFAOYSA-N

Compound name

2-(N-prop-2-enylanilino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.11061 Da
Monoisotopic Mass: 1.6
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]+	191.11789	143.1
[M+Na]+	213.09983	148.3
[M-H]-	189.10333	147.2
[M+NH4]+	208.14443	162.1
[M+K]+	229.07377	146.6
[M+H-H2O]+	173.10787	136.1
[M+HCOO]-	235.10881	168.5
[M+CH3COO]-	249.12446	191.0
[M+Na-2H]-	211.08528	147.6
[M]+	190.11006	141.8
[M]-	190.11116	141.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.