CID 18019

2917-96-6

Structural Information

Molecular Formula

C₆H₁₀O₆S₂

SMILES

CS(=O)(=O)OCC#CCOS(=O)(=O)C

InChI

InChI=1S/C6H10O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h5-6H2,1-2H3

InChIKey

UGPGBZBAORCFNA-UHFFFAOYSA-N

Compound name

4-methylsulfonyloxybut-2-ynyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 642
Patents: 241.99188 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]+	242.99916	143.5
[M+Na]+	264.98110	150.4
[M+NH4]+	260.02570	145.1
[M+K]+	280.95504	142.7
[M-H]-	240.98460	132.1
[M+Na-2H]-	262.96655	141.5
[M]+	241.99133	141.0
[M]-	241.99243	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe