CID 57473

3-cyclohexenylmethylenemalononitrile

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C1CC(CC=C1)C=C(C#N)C#N

InChI

InChI=1S/C10H10N2/c11-7-10(8-12)6-9-4-2-1-3-5-9/h1-2,6,9H,3-5H2

InChIKey

CGYHLQRLSQLPSX-UHFFFAOYSA-N

Compound name

2-(cyclohex-3-en-1-ylmethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.0844 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]+	159.09168	166.4
[M+Na]+	181.07362	174.3
[M+NH4]+	176.11822	167.5
[M+K]+	197.04756	163.4
[M-H]-	157.07712	156.6
[M+Na-2H]-	179.05907	165.3
[M]+	158.08385	163.4
[M]-	158.08495	163.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.