CID 1241552

Maybridge4_003372

Structural Information

Molecular Formula

C₁₇H₂₅N

SMILES

C=CCC1(CCCCC1)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H25N/c1-2-12-17(13-7-4-8-14-17)18-15-11-16-9-5-3-6-10-16/h2-3,5-6,9-10,18H,1,4,7-8,11-15H2

InChIKey

UMCZASJYJMNHFL-UHFFFAOYSA-N

Compound name

N-(2-phenylethyl)-1-prop-2-enylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 243.1987 Da
Monoisotopic Mass: 4.5
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	160.4
[M+Na]+	266.187918	163.0
[M-H]-	242.191424	165.3
[M+NH4]+	261.232523	178.8
[M+K]+	282.161858	158.6
[M+H-H2O]+	226.195960	152.8
[M+HCOO]-	288.196901	180.7
[M+CH3COO]-	302.212551	195.7
[M+Na-2H]-	264.173366	165.2
[M]+	243.19815142	155.1
[M]-	243.19924858	155.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.