CID 5463088

P-methylcinnamonitrile

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

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

InChI

InChI=1S/C10H9N/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,1H3/b3-2+

InChIKey

WHECQDVQLPVCRX-NSCUHMNNSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 70
Patents: 143.0735 Da
Monoisotopic Mass: 2.3
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	132.2
[M+Na]+	166.06272	145.4
[M+NH4]+	161.10732	138.0
[M+K]+	182.03666	134.7
[M-H]-	142.06622	127.8
[M+Na-2H]-	164.04817	137.4
[M]+	143.07295	132.1
[M]-	143.07405	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe