CID 44189836

919482-29-4

Structural Information

Molecular Formula
C7H14O5S
SMILES
CC1(OCC(CO1)OS(=O)(=O)C)C
InChI
InChI=1S/C7H14O5S/c1-7(2)10-4-6(5-11-7)12-13(3,8)9/h6H,4-5H2,1-3H3
InChIKey
JYSIPFBADBNFKR-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dioxan-5-yl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

210.0562 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063476 138.3
[M+Na]+ 233.045418 145.8
[M-H]- 209.048924 143.3
[M+NH4]+ 228.090023 157.0
[M+K]+ 249.019358 148.2
[M+H-H2O]+ 193.053460 134.3
[M+HCOO]- 255.054401 152.4
[M+CH3COO]- 269.070051 180.2
[M+Na-2H]- 231.030866 145.7
[M]+ 210.05565142 142.7
[M]- 210.05674858 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

patents stripe