CID 22246867

(4-cyclohexylphenyl)methanamine

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

C1CCC(CC1)C2=CC=C(C=C2)CN

InChI

InChI=1S/C13H19N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10,14H2

InChIKey

HOTDNAGZXRCBOK-UHFFFAOYSA-N

Compound name

(4-cyclohexylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 189.15175 Da
Monoisotopic Mass: 3.3
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	157.3
[M+NH4]+	207.18557	155.1
[M+K]+	228.11491	149.1
[M-H]-	188.14447	150.8
[M+Na-2H]-	210.12642	153.3
[M]+	189.15120	148.3
[M]-	189.15230	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe