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

23
Patents

179.02522 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032496 133.1
[M+Na]+ 202.014438 141.8
[M-H]- 178.017944 134.4
[M+NH4]+ 197.059043 155.3
[M+K]+ 217.988378 140.6
[M+H-H2O]+ 162.022480 129.0
[M+HCOO]- 224.023421 149.1
[M+CH3COO]- 238.039071 170.5
[M+Na-2H]- 199.999886 135.2
[M]+ 179.02467142 134.1
[M]- 179.02576858 134.1
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