CID 29062327

Imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid

Structural Information

Molecular Formula
C5H3N3O2S
SMILES
C1=C(N=C2N1N=CS2)C(=O)O
InChI
InChI=1S/C5H3N3O2S/c9-4(10)3-1-8-5(7-3)11-2-6-8/h1-2H,(H,9,10)
InChIKey
JKGGEQRVKGJSIP-UHFFFAOYSA-N
Compound name
imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.9946 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.001876 130.0
[M+Na]+ 191.983818 142.6
[M-H]- 167.987324 131.3
[M+NH4]+ 187.028423 151.4
[M+K]+ 207.957758 140.7
[M+H-H2O]+ 151.991860 124.4
[M+HCOO]- 213.992801 148.1
[M+CH3COO]- 228.008451 144.5
[M+Na-2H]- 189.969266 133.3
[M]+ 168.99405142 134.6
[M]- 168.99514858 134.6
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