CID 31041

Gamfexine

Structural Information

Molecular Formula

C₁₇H₂₇N

SMILES

CN(C)CCC(C1CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H27N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3

InChIKey

AJDSHXKJJDQZCJ-UHFFFAOYSA-N

Compound name

3-cyclohexyl-N,N-dimethyl-3-phenylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 344
Patents: 245.21436 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]+	246.221636	162.2
[M+Na]+	268.203578	163.3
[M-H]-	244.207084	168.2
[M+NH4]+	263.248183	179.1
[M+K]+	284.177518	161.1
[M+H-H2O]+	228.211620	153.9
[M+HCOO]-	290.212561	181.7
[M+CH3COO]-	304.228211	201.3
[M+Na-2H]-	266.189026	163.9
[M]+	245.21381142	157.8
[M]-	245.21490858	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe