CID 3018343

2-benzylcyclohexylamine

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

C1CCC(C(C1)CC2=CC=CC=C2)N

InChI

InChI=1S/C13H19N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10,14H2

InChIKey

YOPIHDSNQOMRGC-UHFFFAOYSA-N

Compound name

2-benzylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 52
Patents: 189.15175 Da
Monoisotopic Mass: 3.0
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

literature stripe

Patent stripe

patents stripe