CID 262910

N-methyl-1-phenylcyclohexylamine

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CNC1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C13H19N/c1-14-13(10-6-3-7-11-13)12-8-4-2-5-9-12/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3

InChIKey

TVXWSRNLIRYOFR-UHFFFAOYSA-N

Compound name

N-methyl-1-phenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 189.15175 Da
Monoisotopic Mass: 2.9
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]+	190.15903	145.6
[M+Na]+	212.14097	158.0
[M+NH4]+	207.18557	157.3
[M+K]+	228.11491	147.7
[M-H]-	188.14447	151.5
[M+Na-2H]-	210.12642	156.1
[M]+	189.15120	149.2
[M]-	189.15230	149.2

Literature stripe

literature stripe

Patent stripe

patents stripe