CID 121250

Methyl propyl sulfone

Structural Information

Molecular Formula

C₄H₁₀O₂S

SMILES

CCCS(=O)(=O)C

InChI

InChI=1S/C4H10O2S/c1-3-4-7(2,5)6/h3-4H2,1-2H3

InChIKey

QAPSIUMUNHNUPW-UHFFFAOYSA-N

Compound name

1-methylsulfonylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3292
Patents: 122.04015 Da
Monoisotopic Mass: 0.5
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]+	123.04743	124.8
[M+Na]+	145.02937	134.9
[M+NH4]+	140.07397	132.9
[M+K]+	161.00331	128.3
[M-H]-	121.03287	123.6
[M+Na-2H]-	143.01482	127.9
[M]+	122.03960	126.2
[M]-	122.04070	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe