CID 45088965

773841-78-4

Structural Information

Molecular Formula

C₆H₄N₂O₂S

SMILES

C1=CN2C=C(SC2=N1)C(=O)O

InChI

InChI=1S/C6H4N2O2S/c9-5(10)4-3-8-2-1-7-6(8)11-4/h1-3H,(H,9,10)

InChIKey

FSTIEWRLYHVVHE-UHFFFAOYSA-N

Compound name

imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 167.99934 Da
Monoisotopic Mass: 1.7
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	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

Literature stripe

literature stripe

Patent stripe

patents stripe