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]+ 182.011766 130.3
[M+Na]+ 203.993708 139.4
[M-H]- 179.997214 132.5
[M+NH4]+ 199.038313 151.1
[M+K]+ 219.967648 139.8
[M+H-H2O]+ 164.001750 126.5
[M+HCOO]- 226.002691 146.1
[M+CH3COO]- 240.018341 169.8
[M+Na-2H]- 201.979156 134.1
[M]+ 181.00394142 133.0
[M]- 181.00503858 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.