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]+ 170.00188 130.0
[M+Na]+ 191.98382 142.6
[M-H]- 167.98732 131.3
[M+NH4]+ 187.02842 151.4
[M+K]+ 207.95776 140.7
[M+H-H2O]+ 151.99186 124.4
[M+HCOO]- 213.99280 148.1
[M+CH3COO]- 228.00845 144.5
[M+Na-2H]- 189.96927 133.3
[M]+ 168.99405 134.6
[M]- 168.99515 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