CID 79741

Cyclopentylidenemalononitrile

Structural Information

Molecular Formula

C₈H₈N₂

SMILES

C1CCC(=C(C#N)C#N)C1

InChI

InChI=1S/C8H8N2/c9-5-8(6-10)7-3-1-2-4-7/h1-4H2

InChIKey

KAAPBKWCUJTRDV-UHFFFAOYSA-N

Compound name

2-cyclopentylidenepropanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 132.06874 Da
Monoisotopic Mass: 1.4
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]+	133.076016	145.3
[M+Na]+	155.057958	154.5
[M-H]-	131.061464	148.7
[M+NH4]+	150.102563	160.7
[M+K]+	171.031898	150.4
[M+H-H2O]+	115.066000	130.4
[M+HCOO]-	177.066941	157.0
[M+CH3COO]-	191.082591	207.6
[M+Na-2H]-	153.043406	146.4
[M]+	132.06819142	134.7
[M]-	132.06928858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe