CID 3044125

Cyclohexylamine, n,1-dimethyl-4,4-diphenyl-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅N

SMILES

CC1(CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)NC

InChI

InChI=1S/C20H25N/c1-19(21-2)13-15-20(16-14-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,21H,13-16H2,1-2H3

InChIKey

RGNJOGLQOHSMLF-UHFFFAOYSA-N

Compound name

N,1-dimethyl-4,4-diphenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.1987 Da
Monoisotopic Mass: 4.7
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]+	280.205976	168.9
[M+Na]+	302.187918	173.4
[M-H]-	278.191424	177.7
[M+NH4]+	297.232523	187.7
[M+K]+	318.161858	168.5
[M+H-H2O]+	262.195960	160.0
[M+HCOO]-	324.196901	189.4
[M+CH3COO]-	338.212551	179.5
[M+Na-2H]-	300.173366	174.6
[M]+	279.19815142	163.4
[M]-	279.19924858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.