CID 57437141

1007874-97-6

Structural Information

Molecular Formula

C₇H₆N₂O₂S

SMILES

CC1=CN2C(=CN=C2S1)C(=O)O

InChI

InChI=1S/C7H6N2O2S/c1-4-3-9-5(6(10)11)2-8-7(9)12-4/h2-3H,1H3,(H,10,11)

InChIKey

SHGLPSLGTUMQIP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 182.015 Da
Monoisotopic Mass: 2.1
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	136.4
[M+Na]+	205.00422	147.5
[M+NH4]+	200.04882	144.4
[M+K]+	220.97816	144.5
[M-H]-	181.00772	136.0
[M+Na-2H]-	202.98967	139.8
[M]+	182.01445	138.1
[M]-	182.01555	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe