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]+ 211.06348 138.3
[M+Na]+ 233.04542 145.8
[M-H]- 209.04892 143.3
[M+NH4]+ 228.09002 157.0
[M+K]+ 249.01936 148.2
[M+H-H2O]+ 193.05346 134.3
[M+HCOO]- 255.05440 152.4
[M+CH3COO]- 269.07005 180.2
[M+Na-2H]- 231.03087 145.7
[M]+ 210.05565 142.7
[M]- 210.05675 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