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]+	165.057996	132.4
[M+Na]+	187.039938	140.1
[M-H]-	163.043444	136.8
[M+NH4]+	182.084543	154.1
[M+K]+	203.013878	140.4
[M+H-H2O]+	147.047980	128.3
[M+HCOO]-	209.048921	149.3
[M+CH3COO]-	223.064571	171.7
[M+Na-2H]-	185.025386	136.3
[M]+	164.05017142	134.4
[M]-	164.05126858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe