CID 27532

15886-84-7

Structural Information

Molecular Formula

C₅H₁₂O₆S₂

SMILES

CS(=O)(=O)OCCCOS(=O)(=O)C

InChI

InChI=1S/C5H12O6S2/c1-12(6,7)10-4-3-5-11-13(2,8)9/h3-5H2,1-2H3

InChIKey

MAIFZJHANFOZHK-UHFFFAOYSA-N

Compound name

3-methylsulfonyloxypropyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 261
Patents: 232.00754 Da
Monoisotopic Mass: -0.9
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]+	233.01482	152.1
[M+Na]+	254.99676	158.7
[M+NH4]+	250.04136	156.8
[M+K]+	270.97070	153.1
[M-H]-	231.00026	147.6
[M+Na-2H]-	252.98221	151.6
[M]+	232.00699	152.3
[M]-	232.00809	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe