CID 82597622

Pyrazolo[3,2-b][1,3]thiazole-7-carboxylic acid

Structural Information

Molecular Formula
C6H4N2O2S
SMILES
C1=CSC2=C(C=NN21)C(=O)O
InChI
InChI=1S/C6H4N2O2S/c9-6(10)4-3-7-8-1-2-11-5(4)8/h1-3H,(H,9,10)
InChIKey
WJJBHMAIAOLPRZ-UHFFFAOYSA-N
Compound name
pyrazolo[5,1-b][1,3]thiazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.99934 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.006616 130.7
[M+Na]+ 190.988558 142.9
[M-H]- 166.992064 133.2
[M+NH4]+ 186.033163 153.6
[M+K]+ 206.962498 140.8
[M+H-H2O]+ 150.996600 125.8
[M+HCOO]- 212.997541 149.8
[M+CH3COO]- 227.013191 145.6
[M+Na-2H]- 188.974006 133.8
[M]+ 167.99879142 135.2
[M]- 167.99988858 135.2
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