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

26
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 133.1
[M+Na]+ 202.01444 141.8
[M-H]- 178.01794 134.4
[M+NH4]+ 197.05904 155.3
[M+K]+ 217.98838 140.6
[M+H-H2O]+ 162.02248 129.0
[M+HCOO]- 224.02342 149.1
[M+CH3COO]- 238.03907 170.5
[M+Na-2H]- 199.99989 135.2
[M]+ 179.02467 134.1
[M]- 179.02577 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