CID 137698764

1621706-78-2

Structural Information

Molecular Formula
C4H7NO5S
SMILES
COC(=O)[C@@H]1COS(=O)(=O)N1
InChI
InChI=1S/C4H7NO5S/c1-9-4(6)3-2-10-11(7,8)5-3/h3,5H,2H2,1H3/t3-/m0/s1
InChIKey
ZVUAICDRECZJGG-VKHMYHEASA-N
Compound name
methyl (4S)-2,2-dioxooxathiazolidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.00449 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.01177 130.3
[M+Na]+ 203.99371 139.4
[M-H]- 179.99721 132.5
[M+NH4]+ 199.03831 151.1
[M+K]+ 219.96765 139.8
[M+H-H2O]+ 164.00175 126.5
[M+HCOO]- 226.00269 146.1
[M+CH3COO]- 240.01834 169.8
[M+Na-2H]- 201.97916 134.1
[M]+ 181.00394 133.0
[M]- 181.00504 133.0
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.