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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.00662	131.7
[M+Na]+	190.98856	142.7
[M+NH4]+	186.03316	139.9
[M+K]+	206.96250	139.7
[M-H]-	166.99206	131.3
[M+Na-2H]-	188.97401	135.6
[M]+	167.99879	133.4
[M]-	167.99989	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe