CID 21256477

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

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CC1=C(SC2=NC=C(N12)C(=O)O)C
InChI
InChI=1S/C8H8N2O2S/c1-4-5(2)13-8-9-3-6(7(11)12)10(4)8/h3H,1-2H3,(H,11,12)
InChIKey
OMIYPNSNIFYHLI-UHFFFAOYSA-N
Compound name
2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

196.03065 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 139.3
[M+Na]+ 219.019868 152.3
[M-H]- 195.023374 142.2
[M+NH4]+ 214.064473 161.6
[M+K]+ 234.993808 149.6
[M+H-H2O]+ 179.027910 134.7
[M+HCOO]- 241.028851 157.6
[M+CH3COO]- 255.044501 180.0
[M+Na-2H]- 217.005316 140.1
[M]+ 196.03010142 145.3
[M]- 196.03119858 145.3
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

patents stripe