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]+ 211.00932 141.2
[M+Na]+ 232.99126 149.1
[M-H]- 208.99476 143.1
[M+NH4]+ 228.03586 163.3
[M+K]+ 248.96520 146.2
[M+H-H2O]+ 192.99930 137.8
[M+HCOO]- 255.00024 152.2
[M+CH3COO]- 269.01589 176.6
[M+Na-2H]- 230.97671 141.3
[M]+ 210.00149 143.1
[M]- 210.00259 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.