CID 20365

2-cyclohexylidenemalononitrile

Structural Information

Molecular Formula

C₉H₁₀N₂

SMILES

C1CCC(=C(C#N)C#N)CC1

InChI

InChI=1S/C9H10N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5H2

InChIKey

LFIASOWXJLMZNB-UHFFFAOYSA-N

Compound name

2-cyclohexylidenepropanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 47
Patents: 146.0844 Da
Monoisotopic Mass: 1.9
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]+	147.091676	146.1
[M+Na]+	169.073618	154.4
[M-H]-	145.077124	149.5
[M+NH4]+	164.118223	160.0
[M+K]+	185.047558	150.3
[M+H-H2O]+	129.081660	131.6
[M+HCOO]-	191.082601	156.4
[M+CH3COO]-	205.098251	209.7
[M+Na-2H]-	167.059066	147.9
[M]+	146.08385142	134.5
[M]-	146.08494858	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe