CID 5382677

2-propenenitrile, 2-methyl-3-phenyl-

Structural Information

Molecular Formula

C₁₀H₉N

SMILES

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

InChI

InChI=1S/C10H9N/c1-9(8-11)7-10-5-3-2-4-6-10/h2-7H,1H3/b9-7-

InChIKey

MSOYJTDJKBEDPF-CLFYSBASSA-N

Compound name

(Z)-2-methyl-3-phenylprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 102
Patents: 143.0735 Da
Monoisotopic Mass: 2.6
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]+	144.08078	133.6
[M+Na]+	166.06272	146.1
[M+NH4]+	161.10732	139.3
[M+K]+	182.03666	135.9
[M-H]-	142.06622	128.9
[M+Na-2H]-	164.04817	138.6
[M]+	143.07295	133.2
[M]-	143.07405	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe