CID 11709

Propyl sulfone

Structural Information

Molecular Formula

C₆H₁₄O₂S

SMILES

CCCS(=O)(=O)CCC

InChI

InChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3

InChIKey

JEXYCADTAFPULN-UHFFFAOYSA-N

Compound name

1-propylsulfonylpropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 5
References: 5177
Patents: 150.07146 Da
Monoisotopic Mass: 1.4
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]+	151.07874	133.3
[M+Na]+	173.06068	143.0
[M+NH4]+	168.10528	141.1
[M+K]+	189.03462	136.0
[M-H]-	149.06418	132.0
[M+Na-2H]-	171.04613	136.0
[M]+	150.07091	134.7
[M]-	150.07201	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe