CID 120556

1755-97-1

Structural Information

Molecular Formula
C5H10O4S
SMILES
CC1(COS(=O)(=O)OC1)C
InChI
InChI=1S/C5H10O4S/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3
InChIKey
TVAKWODGKZEADD-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,3,2-dioxathiane 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

166.02998 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03726 124.2
[M+Na]+ 189.01920 133.2
[M-H]- 165.02270 129.7
[M+NH4]+ 184.06380 146.6
[M+K]+ 204.99314 135.5
[M+H-H2O]+ 149.02724 121.2
[M+HCOO]- 211.02818 140.1
[M+CH3COO]- 225.04383 171.5
[M+Na-2H]- 187.00465 133.0
[M]+ 166.02943 127.4
[M]- 166.03053 127.4
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