CID 2806038

N-cyclohexyl-2-(methylsulfonyl)acetamide

Structural Information

Molecular Formula

C₉H₁₇NO₃S

SMILES

CS(=O)(=O)CC(=O)NC1CCCCC1

InChI

InChI=1S/C9H17NO3S/c1-14(12,13)7-9(11)10-8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,10,11)

InChIKey

YHKYOVYGEAPROV-UHFFFAOYSA-N

Compound name

N-cyclohexyl-2-methylsulfonylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 219.09291 Da
Monoisotopic Mass: 1.3
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]+	220.100186	147.5
[M+Na]+	242.082128	151.7
[M-H]-	218.085634	150.0
[M+NH4]+	237.126733	165.6
[M+K]+	258.056068	149.9
[M+H-H2O]+	202.090170	141.7
[M+HCOO]-	264.091111	162.0
[M+CH3COO]-	278.106761	185.2
[M+Na-2H]-	240.067576	149.8
[M]+	219.09236142	145.6
[M]-	219.09345858	145.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.