CID 329979

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

Structural Information

Molecular Formula
C7H6N2O2S
SMILES
CC1=C(N2C=CSC2=N1)C(=O)O
InChI
InChI=1S/C7H6N2O2S/c1-4-5(6(10)11)9-2-3-12-7(9)8-4/h2-3H,1H3,(H,10,11)
InChIKey
VSQMBZXCDDTZAF-UHFFFAOYSA-N
Compound name
6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

286
Patents

182.015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02228 135.1
[M+Na]+ 205.00422 147.6
[M-H]- 181.00772 137.7
[M+NH4]+ 200.04882 157.7
[M+K]+ 220.97816 145.3
[M+H-H2O]+ 165.01226 130.3
[M+HCOO]- 227.01320 153.8
[M+CH3COO]- 241.02885 149.8
[M+Na-2H]- 202.98967 137.0
[M]+ 182.01445 140.3
[M]- 182.01555 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe