CID 137487

2201-17-4

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CN(C)C1(CCCCC1)C2=CC=CC=C2

InChI

InChI=1S/C14H21N/c1-15(2)14(11-7-4-8-12-14)13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3

InChIKey

FQPQJXVSQZUUQU-UHFFFAOYSA-N

Compound name

N,N-dimethyl-1-phenylcyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 203.1674 Da
Monoisotopic Mass: 3.4
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	148.3
[M+Na]+	226.15662	152.0
[M-H]-	202.16012	155.3
[M+NH4]+	221.20122	169.1
[M+K]+	242.13056	150.4
[M+H-H2O]+	186.16466	141.0
[M+HCOO]-	248.16560	169.9
[M+CH3COO]-	262.18125	191.0
[M+Na-2H]-	224.14207	153.9
[M]+	203.16685	143.8
[M]-	203.16795	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe