CID 3021778

Cyclohexylamine, n-allyl-n-ethyl-1-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₅N

SMILES

CCN(CC=C)C1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H25N/c1-3-15-18(4-2)17(13-9-6-10-14-17)16-11-7-5-8-12-16/h3,5,7-8,11-12H,1,4,6,9-10,13-15H2,2H3

InChIKey

WLXNXBJFLLQZLF-UHFFFAOYSA-N

Compound name

N-ethyl-1-phenyl-N-prop-2-enylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 243.1987 Da
Monoisotopic Mass: 4.4
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]+	244.205976	160.7
[M+Na]+	266.187918	163.4
[M-H]-	242.191424	167.1
[M+NH4]+	261.232523	179.7
[M+K]+	282.161858	160.4
[M+H-H2O]+	226.195960	152.8
[M+HCOO]-	288.196901	181.4
[M+CH3COO]-	302.212551	199.1
[M+Na-2H]-	264.173366	164.6
[M]+	243.19815142	156.5
[M]-	243.19924858	156.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.