CID 73696

1518-15-6

Structural Information

Molecular Formula

C₁₂H₈N₄

SMILES

C1CC(=C(C#N)C#N)CCC1=C(C#N)C#N

InChI

InChI=1S/C12H8N4/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16/h1-4H2

InChIKey

NXQNMVFWIRBUHX-UHFFFAOYSA-N

Compound name

2-[4-(dicyanomethylidene)cyclohexylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 77
Patents: 208.07489 Da
Monoisotopic Mass: 0.6
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]+	209.08217	205.5
[M+Na]+	231.06411	207.2
[M+NH4]+	226.10871	203.8
[M+K]+	247.03805	201.1
[M-H]-	207.06761	199.7
[M+Na-2H]-	229.04956	201.2
[M]+	208.07434	203.5
[M]-	208.07544	203.5

Literature stripe

literature stripe

Patent stripe

patents stripe