CID 11240805

409107-64-8

Structural Information

Molecular Formula
C5H9NO4S
SMILES
COC(=O)C1CCS(=O)(=O)N1
InChI
InChI=1S/C5H9NO4S/c1-10-5(7)4-2-3-11(8,9)6-4/h4,6H,2-3H2,1H3
InChIKey
UETBQZUGBOZWRA-UHFFFAOYSA-N
Compound name
methyl 1,1-dioxo-1,2-thiazolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

179.02522 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.03250 137.2
[M+Na]+ 202.01444 144.9
[M+NH4]+ 197.05904 144.8
[M+K]+ 217.98838 139.9
[M-H]- 178.01794 135.1
[M+Na-2H]- 199.99989 140.0
[M]+ 179.02467 137.8
[M]- 179.02577 137.8
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