CID 3063759

Cyclohexanemethylamine, n-(2-chloroethyl)-n-ethyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₆ClN

SMILES

CCN(CCCl)CC1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H26ClN/c1-2-19(14-13-18)15-17(11-7-4-8-12-17)16-9-5-3-6-10-16/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3

InChIKey

GFKIHCHAULTCTM-UHFFFAOYSA-N

Compound name

2-chloro-N-ethyl-N-[(1-phenylcyclohexyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.17538 Da
Monoisotopic Mass: 5.1
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]+	280.182656	168.9
[M+Na]+	302.164598	172.1
[M-H]-	278.168104	174.9
[M+NH4]+	297.209203	187.4
[M+K]+	318.138538	167.7
[M+H-H2O]+	262.172640	161.6
[M+HCOO]-	324.173581	184.9
[M+CH3COO]-	338.189231	203.6
[M+Na-2H]-	300.150046	172.2
[M]+	279.17483142	167.6
[M]-	279.17592858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.