CID 201578

6276-67-1

Structural Information

Molecular Formula

C₁₄H₂₁N

SMILES

CNC(C1CCCCC1)C2=CC=CC=C2

InChI

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

InChIKey

UITPYGRUNBYWBN-UHFFFAOYSA-N

Compound name

1-cyclohexyl-N-methyl-1-phenylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.1674 Da
Monoisotopic Mass: 3.7
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	150.6
[M-H]-	202.16012	153.4
[M+NH4]+	221.20122	166.2
[M+K]+	242.13056	147.7
[M+H-H2O]+	186.16466	140.8
[M+HCOO]-	248.16560	168.3
[M+CH3COO]-	262.18125	188.8
[M+Na-2H]-	224.14207	152.4
[M]+	203.16685	141.6
[M]-	203.16795	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe