CID 214010

3,4-dimethoxysulfolane

Structural Information

Molecular Formula
C6H12O4S
SMILES
COC1CS(=O)(=O)CC1OC
InChI
InChI=1S/C6H12O4S/c1-9-5-3-11(7,8)4-6(5)10-2/h5-6H,3-4H2,1-2H3
InChIKey
OSDHRUQHPRZLJH-UHFFFAOYSA-N
Compound name
3,4-dimethoxythiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

76
Patents

180.04562 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05290 136.9
[M+Na]+ 203.03484 145.9
[M+NH4]+ 198.07944 145.9
[M+K]+ 219.00878 139.6
[M-H]- 179.03834 136.7
[M+Na-2H]- 201.02029 140.8
[M]+ 180.04507 138.4
[M]- 180.04617 138.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe