CID 83667879

2-amino-[1,3]thiazolo[4,5-b]pyridine-6-carboxylic acid

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

2
Patents

195.01025 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.01753 135.7
[M+Na]+ 217.99947 147.2
[M-H]- 194.00297 137.3
[M+NH4]+ 213.04407 155.1
[M+K]+ 233.97341 143.5
[M+H-H2O]+ 178.00751 129.8
[M+HCOO]- 240.00845 153.8
[M+CH3COO]- 254.02410 149.3
[M+Na-2H]- 215.98492 140.1
[M]+ 195.00970 138.2
[M]- 195.01080 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