CID 67931099

122556-18-7

Structural Information

Molecular Formula
C5H7NO5S
SMILES
C1C(NC(=O)CS1(=O)=O)C(=O)O
InChI
InChI=1S/C5H7NO5S/c7-4-2-12(10,11)1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKey
JSRUCHVKGKSCRO-UHFFFAOYSA-N
Compound name
1,1,5-trioxo-1,4-thiazinane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.00449 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.01177 137.8
[M+Na]+ 215.99371 145.9
[M+NH4]+ 211.03831 144.4
[M+K]+ 231.96765 140.0
[M-H]- 191.99721 135.1
[M+Na-2H]- 213.97916 140.4
[M]+ 193.00394 138.2
[M]- 193.00504 138.2
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.