CID 98932

13031-76-0

Structural Information

Molecular Formula
C4H8O3S
SMILES
C1CS(=O)(=O)CC1O
InChI
InChI=1S/C4H8O3S/c5-4-1-2-8(6,7)3-4/h4-5H,1-3H2
InChIKey
AMXKVIWWXBYXRS-UHFFFAOYSA-N
Compound name
1,1-dioxothiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

490
Patents

136.01941 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.026686 122.6
[M+Na]+ 159.008628 131.9
[M-H]- 135.012134 125.5
[M+NH4]+ 154.053233 148.0
[M+K]+ 174.982568 130.5
[M+H-H2O]+ 119.016670 119.5
[M+HCOO]- 181.017611 140.8
[M+CH3COO]- 195.033261 163.4
[M+Na-2H]- 156.994076 126.2
[M]+ 136.01886142 122.7
[M]- 136.01995858 122.7
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