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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08421 142.2
[M+Na]+ 231.06615 148.1
[M-H]- 207.06965 144.5
[M+NH4]+ 226.11075 161.3
[M+K]+ 247.04009 147.7
[M+H-H2O]+ 191.07419 138.1
[M+HCOO]- 253.07513 155.0
[M+CH3COO]- 267.09078 177.1
[M+Na-2H]- 229.05160 148.0
[M]+ 208.07638 142.7
[M]- 208.07748 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.