CID 135185

M.g. 6669

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CC(C1CCC(CC1)C2=CC=CC=C2)N

InChI

InChI=1S/C14H21N/c1-11(15)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10,15H2,1H3

InChIKey

DZWRYOJSAWKQIK-UHFFFAOYSA-N

Compound name

1-(4-phenylcyclohexyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 203.1674 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]+	204.174676	148.8
[M+Na]+	226.156618	152.1
[M-H]-	202.160124	153.9
[M+NH4]+	221.201223	166.9
[M+K]+	242.130558	148.9
[M+H-H2O]+	186.164660	141.6
[M+HCOO]-	248.165601	168.3
[M+CH3COO]-	262.181251	189.2
[M+Na-2H]-	224.142066	151.2
[M]+	203.16685142	141.6
[M]-	203.16794858	141.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.