CID 21941441

933753-92-5

Structural Information

Molecular Formula

C₆H₆N₂O₂S

SMILES

C1CSC2=C(C=NN21)C(=O)O

InChI

InChI=1S/C6H6N2O2S/c9-6(10)4-3-7-8-1-2-11-5(4)8/h3H,1-2H2,(H,9,10)

InChIKey

ZOEZAYVCCMJVCR-UHFFFAOYSA-N

Compound name

2,3-dihydropyrazolo[5,1-b][1,3]thiazole-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 170.015 Da
Monoisotopic Mass: 0.3
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]+	171.02228	134.0
[M+Na]+	193.00422	143.1
[M+NH4]+	188.04882	142.1
[M+K]+	208.97816	140.6
[M-H]-	169.00772	133.2
[M+Na-2H]-	190.98967	136.2
[M]+	170.01445	135.2
[M]-	170.01555	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe