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]+ 195.03217 135.0
[M+Na]+ 217.01411 142.2
[M-H]- 193.01761 135.8
[M+NH4]+ 212.05871 156.9
[M+K]+ 232.98805 140.8
[M+H-H2O]+ 177.02215 132.3
[M+HCOO]- 239.02309 148.2
[M+CH3COO]- 253.03874 171.5
[M+Na-2H]- 214.99956 139.5
[M]+ 194.02434 134.0
[M]- 194.02544 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.