CID 61279804

1286275-78-2

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

COCC(=O)NC1CCC(CC1)N

InChI

InChI=1S/C9H18N2O2/c1-13-6-9(12)11-8-4-2-7(10)3-5-8/h7-8H,2-6,10H2,1H3,(H,11,12)

InChIKey

SCLWTHCFOIFAIL-UHFFFAOYSA-N

Compound name

N-(4-aminocyclohexyl)-2-methoxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 186.13683 Da
Monoisotopic Mass: -0.2
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]+	187.144106	142.5
[M+Na]+	209.126048	146.0
[M-H]-	185.129554	144.6
[M+NH4]+	204.170653	161.2
[M+K]+	225.099988	145.2
[M+H-H2O]+	169.134090	136.1
[M+HCOO]-	231.135031	163.7
[M+CH3COO]-	245.150681	186.2
[M+Na-2H]-	207.111496	145.2
[M]+	186.13628142	137.3
[M]-	186.13737858	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe