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

51
Patents

164.01433 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.021606 129.5
[M+Na]+ 187.003548 138.1
[M-H]- 163.007054 132.2
[M+NH4]+ 182.048153 153.5
[M+K]+ 202.977488 136.8
[M+H-H2O]+ 147.011590 126.3
[M+HCOO]- 209.012531 146.6
[M+CH3COO]- 223.028181 168.5
[M+Na-2H]- 184.988996 131.7
[M]+ 164.01378142 130.1
[M]- 164.01487858 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