CID 3157493

57332-75-9

Structural Information

Molecular Formula

C₇H₆N₂O₂S

SMILES

C1=CSC2=NC(=CN21)CC(=O)O

InChI

InChI=1S/C7H6N2O2S/c10-6(11)3-5-4-9-1-2-12-7(9)8-5/h1-2,4H,3H2,(H,10,11)

InChIKey

FQIBVYSYFWBQHP-UHFFFAOYSA-N

Compound name

2-imidazo[2,1-b][1,3]thiazol-6-ylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 182.015 Da
Monoisotopic Mass: 1.4
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]+	183.02228	136.0
[M+Na]+	205.00422	146.8
[M+NH4]+	200.04882	144.1
[M+K]+	220.97816	143.6
[M-H]-	181.00772	135.7
[M+Na-2H]-	202.98967	139.7
[M]+	182.01445	137.7
[M]-	182.01555	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe