CID 79530

2-(1-phenylethylidene)malononitrile

Structural Information

Molecular Formula

C₁₁H₈N₂

SMILES

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

InChI

InChI=1S/C11H8N2/c1-9(11(7-12)8-13)10-5-3-2-4-6-10/h2-6H,1H3

InChIKey

ZVOMMPYHGITOEF-UHFFFAOYSA-N

Compound name

2-(1-phenylethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 68
Patents: 168.06874 Da
Monoisotopic Mass: 2.1
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]+	169.07602	166.7
[M+Na]+	191.05796	175.4
[M+NH4]+	186.10256	167.7
[M+K]+	207.03190	164.6
[M-H]-	167.06146	157.0
[M+Na-2H]-	189.04341	166.4
[M]+	168.06819	163.9
[M]-	168.06929	163.9

Literature stripe

literature stripe

Patent stripe

patents stripe