CID 130658875

39558-94-6

Structural Information

Molecular Formula
C8H7NO3S
SMILES
C1C(N2C(=O)C=CC=C2S1)C(=O)O
InChI
InChI=1S/C8H7NO3S/c10-6-2-1-3-7-9(6)5(4-13-7)8(11)12/h1-3,5H,4H2,(H,11,12)
InChIKey
ODGKRRGOIOFRTR-UHFFFAOYSA-N
Compound name
5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

197.01466 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.021936 137.4
[M+Na]+ 220.003878 147.4
[M-H]- 196.007384 140.1
[M+NH4]+ 215.048483 158.4
[M+K]+ 235.977818 144.5
[M+H-H2O]+ 180.011920 132.4
[M+HCOO]- 242.012861 153.6
[M+CH3COO]- 256.028511 177.6
[M+Na-2H]- 217.989326 139.9
[M]+ 197.01411142 139.4
[M]- 197.01520858 139.4
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

patents stripe