CID 284518

1,1-dioxo-1lambda6-thiolane-2-carboxylic acid

Structural Information

Molecular Formula
C5H8O4S
SMILES
C1CC(S(=O)(=O)C1)C(=O)O
InChI
InChI=1S/C5H8O4S/c6-5(7)4-2-1-3-10(4,8)9/h4H,1-3H2,(H,6,7)
InChIKey
TTZCAAIAOJHFIM-UHFFFAOYSA-N
Compound name
1,1-dioxothiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

48
Patents

164.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02161 129.5
[M+Na]+ 187.00355 138.1
[M-H]- 163.00705 132.2
[M+NH4]+ 182.04815 153.5
[M+K]+ 202.97749 136.8
[M+H-H2O]+ 147.01159 126.3
[M+HCOO]- 209.01253 146.6
[M+CH3COO]- 223.02818 168.5
[M+Na-2H]- 184.98900 131.7
[M]+ 164.01378 130.1
[M]- 164.01488 130.1
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