CID 137704374

2138157-71-6

Structural Information

Molecular Formula
C7H4N2O5S
SMILES
C1=C(C=NC2=C1S(=O)(=O)NC2=O)C(=O)O
InChI
InChI=1S/C7H4N2O5S/c10-6-5-4(15(13,14)9-6)1-3(2-8-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKey
GIMQDZWJFCKYDO-UHFFFAOYSA-N
Compound name
1,1,3-trioxo-[1,2]thiazolo[4,5-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.98409 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.99137 141.0
[M+Na]+ 250.97331 152.6
[M-H]- 226.97681 141.5
[M+NH4]+ 246.01791 160.5
[M+K]+ 266.94725 149.2
[M+H-H2O]+ 210.98135 136.7
[M+HCOO]- 272.98229 155.4
[M+CH3COO]- 286.99794 178.7
[M+Na-2H]- 248.95876 144.9
[M]+ 227.98354 143.6
[M]- 227.98464 143.6
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.