CID 44151073

Cyclohexanamine, n-(1,1-dimethoxyethyl)-

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(NC1CCCCC1)(OC)OC

InChI

InChI=1S/C10H21NO2/c1-10(12-2,13-3)11-9-7-5-4-6-8-9/h9,11H,4-8H2,1-3H3

InChIKey

HENPAQQGODZROV-UHFFFAOYSA-N

Compound name

N-(1,1-dimethoxyethyl)cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 187.15723 Da
Monoisotopic Mass: 1.8
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]+	188.164506	144.0
[M+Na]+	210.146448	147.3
[M-H]-	186.149954	146.4
[M+NH4]+	205.191053	163.2
[M+K]+	226.120388	147.2
[M+H-H2O]+	170.154490	138.1
[M+HCOO]-	232.155431	163.7
[M+CH3COO]-	246.171081	184.7
[M+Na-2H]-	208.131896	149.7
[M]+	187.15668142	141.6
[M]-	187.15777858	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe