CID 40538

Bicyclo(2.2.2)octane-2-methylamine, n,n-dimethyl-3-phenyl-, hydrochloride, (e)-

Structural Information

Molecular Formula

C₁₇H₂₅N

SMILES

CN(C)CC1C2CCC(C1C3=CC=CC=C3)CC2

InChI

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

InChIKey

XQGAMWDOCIXVRB-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-(3-phenyl-2-bicyclo[2.2.2]octanyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
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	157.0
[M+Na]+	266.187918	159.0
[M-H]-	242.191424	157.4
[M+NH4]+	261.232523	179.0
[M+K]+	282.161858	155.9
[M+H-H2O]+	226.195960	150.1
[M+HCOO]-	288.196901	169.3
[M+CH3COO]-	302.212551	166.4
[M+Na-2H]-	264.173366	165.3
[M]+	243.19815142	156.9
[M]-	243.19924858	156.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.