CID 139595521

Ns00040958

Structural Information

Molecular Formula
C4H7NO5S
SMILES
CC1C(C(=O)NS(=O)(=O)O1)O
InChI
InChI=1S/C4H7NO5S/c1-2-3(6)4(7)5-11(8,9)10-2/h2-3,6H,1H3,(H,5,7)
InChIKey
IZOQTADOZFTJFU-UHFFFAOYSA-N
Compound name
5-hydroxy-6-methyl-2,2-dioxooxathiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.00449 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.011766 128.9
[M+Na]+ 203.993708 138.3
[M-H]- 179.997214 129.8
[M+NH4]+ 199.038313 147.5
[M+K]+ 219.967648 137.3
[M+H-H2O]+ 164.001750 124.9
[M+HCOO]- 226.002691 141.9
[M+CH3COO]- 240.018341 170.1
[M+Na-2H]- 201.979156 133.4
[M]+ 181.00394142 129.0
[M]- 181.00503858 129.0
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.