CID 84031806

5-bromo-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

Structural Information

Molecular Formula
C7H5BrN2O2S
SMILES
CC1=C(N2C=C(SC2=N1)C(=O)O)Br
InChI
InChI=1S/C7H5BrN2O2S/c1-3-5(8)10-2-4(6(11)12)13-7(10)9-3/h2H,1H3,(H,11,12)
InChIKey
TUZOIKQWBBDVDT-UHFFFAOYSA-N
Compound name
5-bromo-6-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.9255 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.932776 139.6
[M+Na]+ 282.914718 156.3
[M-H]- 258.918224 145.5
[M+NH4]+ 277.959323 163.1
[M+K]+ 298.888658 145.4
[M+H-H2O]+ 242.922760 141.3
[M+HCOO]- 304.923701 156.5
[M+CH3COO]- 318.939351 187.2
[M+Na-2H]- 280.900166 143.1
[M]+ 259.92495142 163.5
[M]- 259.92604858 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.