CID 27251

Methyl tetrahydrofurfuryl sulfone

Structural Information

Molecular Formula

C₆H₁₂O₃S

SMILES

CS(=O)(=O)CC1CCCO1

InChI

InChI=1S/C6H12O3S/c1-10(7,8)5-6-3-2-4-9-6/h6H,2-5H2,1H3

InChIKey

MYDGSIFTILDPNL-UHFFFAOYSA-N

Compound name

2-(methylsulfonylmethyl)oxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 164.05072 Da
Monoisotopic Mass: 0.0
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]+	165.05800	134.3
[M+Na]+	187.03994	143.0
[M+NH4]+	182.08454	142.2
[M+K]+	203.01388	139.0
[M-H]-	163.04344	135.2
[M+Na-2H]-	185.02539	136.7
[M]+	164.05017	136.0
[M]-	164.05127	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe