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: 233
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]+	233.014816	146.5
[M+Na]+	254.996758	154.2
[M-H]-	231.000264	146.5
[M+NH4]+	250.041363	164.3
[M+K]+	270.970698	152.3
[M+H-H2O]+	215.004800	141.3
[M+HCOO]-	277.005741	158.2
[M+CH3COO]-	291.021391	182.4
[M+Na-2H]-	252.982206	150.4
[M]+	232.00699142	154.4
[M]-	232.00808858	154.4

Literature stripe

literature stripe

Patent stripe

patents stripe