CID 83667879

1501254-33-6

Structural Information

Molecular Formula
C7H5N3O2S
SMILES
C1=C(C=NC2=C1SC(=N2)N)C(=O)O
InChI
InChI=1S/C7H5N3O2S/c8-7-10-5-4(13-7)1-3(2-9-5)6(11)12/h1-2H,(H,11,12)(H2,8,9,10)
InChIKey
ZEKKEUQGGWCAPM-UHFFFAOYSA-N
Compound name
2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.01025 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.017526 135.7
[M+Na]+ 217.999468 147.2
[M-H]- 194.002974 137.3
[M+NH4]+ 213.044073 155.1
[M+K]+ 233.973408 143.5
[M+H-H2O]+ 178.007510 129.8
[M+HCOO]- 240.008451 153.8
[M+CH3COO]- 254.024101 149.3
[M+Na-2H]- 215.984916 140.1
[M]+ 195.00970142 138.2
[M]- 195.01079858 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

patents stripe