CID 15166436

132291-95-3

Structural Information

Molecular Formula

C₇H₁₄O₄S

SMILES

CS(=O)(=O)OCC1CCOCC1

InChI

InChI=1S/C7H14O4S/c1-12(8,9)11-6-7-2-4-10-5-3-7/h7H,2-6H2,1H3

InChIKey

HJZXNSXKMBRTJZ-UHFFFAOYSA-N

Compound name

oxan-4-ylmethyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 235
Patents: 194.06128 Da
Monoisotopic Mass: 0.2
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]+	195.06856	139.7
[M+Na]+	217.05050	148.9
[M+NH4]+	212.09510	147.2
[M+K]+	233.02444	143.3
[M-H]-	193.05400	140.9
[M+Na-2H]-	215.03595	142.8
[M]+	194.06073	141.6
[M]-	194.06183	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe