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

12
Patents

167.99934 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.00662 130.7
[M+Na]+ 190.98856 142.9
[M-H]- 166.99206 133.2
[M+NH4]+ 186.03316 153.6
[M+K]+ 206.96250 140.8
[M+H-H2O]+ 150.99660 125.8
[M+HCOO]- 212.99754 149.8
[M+CH3COO]- 227.01319 145.6
[M+Na-2H]- 188.97401 133.8
[M]+ 167.99879 135.2
[M]- 167.99989 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