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	140.8
[M+Na]+	189.13622	146.8
[M-H]-	165.13972	143.3
[M+NH4]+	184.18082	158.9
[M+K]+	205.11016	144.5
[M+H-H2O]+	149.14426	129.0
[M+HCOO]-	211.14520	157.0
[M+CH3COO]-	225.16085	194.1
[M+Na-2H]-	187.12167	146.0
[M]+	166.14645	131.1
[M]-	166.14755	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe