CID 64203221

2-(oxan-4-yloxy)ethane-1-sulfonamide

Structural Information

Molecular Formula

C₇H₁₅NO₄S

SMILES

C1COCCC1OCCS(=O)(=O)N

InChI

InChI=1S/C7H15NO4S/c8-13(9,10)6-5-12-7-1-3-11-4-2-7/h7H,1-6H2,(H2,8,9,10)

InChIKey

LXKUHGNEARBENR-UHFFFAOYSA-N

Compound name

2-(oxan-4-yloxy)ethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.07217 Da
Monoisotopic Mass: -0.8
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]+	210.079446	142.4
[M+Na]+	232.061388	147.3
[M-H]-	208.064894	145.3
[M+NH4]+	227.105993	159.4
[M+K]+	248.035328	147.1
[M+H-H2O]+	192.069430	136.5
[M+HCOO]-	254.070371	157.3
[M+CH3COO]-	268.086021	181.4
[M+Na-2H]-	230.046836	146.9
[M]+	209.07162142	142.1
[M]-	209.07271858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.