CID 101435

Cyclohexane-1,4-dicarbonitrile

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

C1CC(CCC1C#N)C#N

InChI

InChI=1S/C8H10N2/c9-5-7-1-2-8(6-10)4-3-7/h7-8H,1-4H2

InChIKey

MGWYSXZGBRHJNE-UHFFFAOYSA-N

Compound name

cyclohexane-1,4-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1207
Patents: 134.0844 Da
Monoisotopic Mass: 0.9
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]+	135.09168	159.9
[M+Na]+	157.07362	167.8
[M+NH4]+	152.11822	161.4
[M+K]+	173.04756	157.2
[M-H]-	133.07712	150.4
[M+Na-2H]-	155.05907	158.9
[M]+	134.08385	157.0
[M]-	134.08495	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe