CID 53415357

129888-63-7

Structural Information

Molecular Formula

C₆H₁₂O₄S

SMILES

CS(=O)(=O)OC1CCCOC1

InChI

InChI=1S/C6H12O4S/c1-11(7,8)10-6-3-2-4-9-5-6/h6H,2-5H2,1H3

InChIKey

ZKFXSGOGYHXYDT-UHFFFAOYSA-N

Compound name

oxan-3-yl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 180.04562 Da
Monoisotopic Mass: 0.1
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]+	181.052896	133.6
[M+Na]+	203.034838	140.0
[M-H]-	179.038344	137.6
[M+NH4]+	198.079443	152.5
[M+K]+	219.008778	140.7
[M+H-H2O]+	163.042880	128.6
[M+HCOO]-	225.043821	148.6
[M+CH3COO]-	239.059471	174.1
[M+Na-2H]-	201.020286	139.2
[M]+	180.04507142	134.8
[M]-	180.04616858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe