CID 97179344

(4-methanesulfonyloxan-4-yl)methanol

Structural Information

Molecular Formula
C7H14O4S
SMILES
CS(=O)(=O)C1(CCOCC1)CO
InChI
InChI=1S/C7H14O4S/c1-12(9,10)7(6-8)2-4-11-5-3-7/h8H,2-6H2,1H3
InChIKey
IHHJJQMXLSFDKC-UHFFFAOYSA-N
Compound name
(4-methylsulfonyloxan-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06128 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06856 139.9
[M+Na]+ 217.05050 148.5
[M+NH4]+ 212.09510 148.4
[M+K]+ 233.02444 141.6
[M-H]- 193.05400 140.4
[M+Na-2H]- 215.03595 144.1
[M]+ 194.06073 141.7
[M]- 194.06183 141.7
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.