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

57
Patents

166.02998 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.037256 124.2
[M+Na]+ 189.019198 133.2
[M-H]- 165.022704 129.7
[M+NH4]+ 184.063803 146.6
[M+K]+ 204.993138 135.5
[M+H-H2O]+ 149.027240 121.2
[M+HCOO]- 211.028181 140.1
[M+CH3COO]- 225.043831 171.5
[M+Na-2H]- 187.004646 133.0
[M]+ 166.02943142 127.4
[M]- 166.03052858 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