CID 61563374

1248073-89-3

Structural Information

Molecular Formula
C6H10O5S
SMILES
C1CS(=O)(=O)CCC1(C(=O)O)O
InChI
InChI=1S/C6H10O5S/c7-5(8)6(9)1-3-12(10,11)4-2-6/h9H,1-4H2,(H,7,8)
InChIKey
FHSQSKFVZJCIAL-UHFFFAOYSA-N
Compound name
4-hydroxy-1,1-dioxothiane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.02489 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.032166 135.0
[M+Na]+ 217.014108 142.2
[M-H]- 193.017614 135.8
[M+NH4]+ 212.058713 156.9
[M+K]+ 232.988048 140.8
[M+H-H2O]+ 177.022150 132.3
[M+HCOO]- 239.023091 148.2
[M+CH3COO]- 253.038741 171.5
[M+Na-2H]- 214.999556 139.5
[M]+ 194.02434142 134.0
[M]- 194.02543858 134.0
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

No patent data available for this compound.