CID 45082749

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

Structural Information

Molecular Formula
C6H6N2O2S
SMILES
C1CSC2=NC=C(N21)C(=O)O
InChI
InChI=1S/C6H6N2O2S/c9-5(10)4-3-7-6-8(4)1-2-11-6/h3H,1-2H2,(H,9,10)
InChIKey
JECVWJUSYJVNEL-UHFFFAOYSA-N
Compound name
2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.015 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02228 133.5
[M+Na]+ 193.00422 143.6
[M-H]- 169.00772 135.1
[M+NH4]+ 188.04882 156.0
[M+K]+ 208.97816 142.0
[M+H-H2O]+ 153.01226 128.5
[M+HCOO]- 215.01320 149.7
[M+CH3COO]- 229.02885 147.2
[M+Na-2H]- 190.98967 134.7
[M]+ 170.01445 135.2
[M]- 170.01555 135.2
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