CID 13723647

N-(4-cyanophenyl)-2-propenamide

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C=CC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C10H8N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h2-6H,1H2,(H,12,13)

InChIKey

BVVAIXVPRJKYMO-UHFFFAOYSA-N

Compound name

N-(4-cyanophenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 172.06366 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]+	173.07094	140.6
[M+Na]+	195.05288	151.9
[M+NH4]+	190.09748	145.0
[M+K]+	211.02682	142.5
[M-H]-	171.05638	135.4
[M+Na-2H]-	193.03833	144.4
[M]+	172.06311	139.7
[M]-	172.06421	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe