CID 22682

6281-50-1

Structural Information

Molecular Formula

C₁₀H₁₈N₂

SMILES

CC(C)(C#N)NC1CCCCC1

InChI

InChI=1S/C10H18N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h9,12H,3-7H2,1-2H3

InChIKey

BEZHOMANQFCBNG-UHFFFAOYSA-N

Compound name

2-(cyclohexylamino)-2-methylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.147 Da
Monoisotopic Mass: 2.0
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]+	167.15428	143.4
[M+Na]+	189.13622	152.2
[M+NH4]+	184.18082	148.5
[M+K]+	205.11016	143.3
[M-H]-	165.13972	138.2
[M+Na-2H]-	187.12167	145.9
[M]+	166.14645	142.2
[M]-	166.14755	142.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.