CID 2802503

86453-15-8

Structural Information

Molecular Formula
C6H10O4S2
SMILES
C1CS(=O)(=O)CC1SCC(=O)O
InChI
InChI=1S/C6H10O4S2/c7-6(8)3-11-5-1-2-12(9,10)4-5/h5H,1-4H2,(H,7,8)
InChIKey
AJTOTGKRRDVGAK-UHFFFAOYSA-N
Compound name
2-(1,1-dioxothiolan-3-yl)sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

210.00204 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.009316 141.2
[M+Na]+ 232.991258 149.1
[M-H]- 208.994764 143.1
[M+NH4]+ 228.035863 163.3
[M+K]+ 248.965198 146.2
[M+H-H2O]+ 192.999300 137.8
[M+HCOO]- 255.000241 152.2
[M+CH3COO]- 269.015891 176.6
[M+Na-2H]- 230.976706 141.3
[M]+ 210.00149142 143.1
[M]- 210.00258858 143.1
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

No patent data available for this compound.