CID 14767509

Vinylbenzyl cyanide

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

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

InChI

InChI=1S/C10H9N/c1-2-9(8-11)10-6-4-3-5-7-10/h2-7,9H,1H2

InChIKey

URFKATXMVVHHEY-UHFFFAOYSA-N

Compound name

2-phenylbut-3-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 143.0735 Da
Monoisotopic Mass: 2.4
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]+	144.08078	132.7
[M+Na]+	166.06272	142.1
[M-H]-	142.06622	135.8
[M+NH4]+	161.10732	151.9
[M+K]+	182.03666	138.4
[M+H-H2O]+	126.07076	120.6
[M+HCOO]-	188.07170	152.6
[M+CH3COO]-	202.08735	188.5
[M+Na-2H]-	164.04817	138.6
[M]+	143.07295	126.7
[M]-	143.07405	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe