CID 23106113

50765-07-6

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

C1CCC(CC1)(CCC2=CC=CC=C2)N

InChI

InChI=1S/C14H21N/c15-14(10-5-2-6-11-14)12-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12,15H2

InChIKey

DJBIHDGQDKHFKB-UHFFFAOYSA-N

Compound name

1-(2-phenylethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 203.1674 Da
Monoisotopic Mass: 3.2
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]+	204.17468	149.0
[M+Na]+	226.15662	152.6
[M-H]-	202.16012	153.9
[M+NH4]+	221.20122	168.8
[M+K]+	242.13056	149.1
[M+H-H2O]+	186.16466	141.9
[M+HCOO]-	248.16560	169.5
[M+CH3COO]-	262.18125	186.8
[M+Na-2H]-	224.14207	154.3
[M]+	203.16685	142.3
[M]-	203.16795	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe