CID 6365808

P-vinylcinnamonitrile

Structural Information

Molecular Formula

C₁₁H₉N

SMILES

C=CC1=CC=C(C=C1)/C=C/C#N

InChI

InChI=1S/C11H9N/c1-2-10-5-7-11(8-6-10)4-3-9-12/h2-8H,1H2/b4-3+

InChIKey

FNWLIFTZDCZCIR-ONEGZZNKSA-N

Compound name

(E)-3-(4-ethenylphenyl)prop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 155.0735 Da
Monoisotopic Mass: 2.8
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]+	156.080776	134.9
[M+Na]+	178.062718	145.4
[M-H]-	154.066224	138.3
[M+NH4]+	173.107323	154.1
[M+K]+	194.036658	140.6
[M+H-H2O]+	138.070760	123.0
[M+HCOO]-	200.071701	155.6
[M+CH3COO]-	214.087351	190.0
[M+Na-2H]-	176.048166	140.9
[M]+	155.07295142	129.5
[M]-	155.07404858	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe