CID 12230279

4-methyl-4-phenylcyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1(CCC(CC1)N)C2=CC=CC=C2

InChI

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

InChIKey

NOWKJMNJTFDAQO-UHFFFAOYSA-N

Compound name

4-methyl-4-phenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 189.15175 Da
Monoisotopic Mass: 2.8
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	145.0
[M+Na]+	212.14097	157.4
[M+NH4]+	207.18557	156.5
[M+K]+	228.11491	147.6
[M-H]-	188.14447	150.8
[M+Na-2H]-	210.12642	154.9
[M]+	189.15120	148.6
[M]-	189.15230	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe