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: 1
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]+	159.091676	149.3
[M+Na]+	181.073618	157.9
[M-H]-	157.077124	152.6
[M+NH4]+	176.118223	162.9
[M+K]+	197.047558	153.6
[M+H-H2O]+	141.081660	134.6
[M+HCOO]-	203.082601	160.3
[M+CH3COO]-	217.098251	211.4
[M+Na-2H]-	179.059066	151.2
[M]+	158.08385142	138.7
[M]-	158.08494858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe