CID 71757286

[4-(methanesulfonylmethyl)oxan-4-yl]methanol

Structural Information

Molecular Formula

C₈H₁₆O₄S

SMILES

CS(=O)(=O)CC1(CCOCC1)CO

InChI

InChI=1S/C8H16O4S/c1-13(10,11)7-8(6-9)2-4-12-5-3-8/h9H,2-7H2,1H3

InChIKey

ZBFOZZCFDNGJGD-UHFFFAOYSA-N

Compound name

[4-(methylsulfonylmethyl)oxan-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.07693 Da
Monoisotopic Mass: -0.6
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]+	209.084206	142.2
[M+Na]+	231.066148	148.1
[M-H]-	207.069654	144.5
[M+NH4]+	226.110753	161.3
[M+K]+	247.040088	147.7
[M+H-H2O]+	191.074190	138.1
[M+HCOO]-	253.075131	155.0
[M+CH3COO]-	267.090781	177.1
[M+Na-2H]-	229.051596	148.0
[M]+	208.07638142	142.7
[M]-	208.07747858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.