CID 23365081

Potassium 3-tert-butyl-1,2,4-thiadiazole-5-carboxylate

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC(C)(C)C1=NSC(=N1)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-7(2,3)6-8-4(5(10)11)12-9-6/h1-3H3,(H,10,11)
InChIKey
ZBTFJUWOUKHYSC-UHFFFAOYSA-N
Compound name
3-tert-butyl-1,2,4-thiadiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

186.0463 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 141.4
[M+Na]+ 209.03552 150.9
[M+NH4]+ 204.08012 148.1
[M+K]+ 225.00946 147.4
[M-H]- 185.03902 139.9
[M+Na-2H]- 207.02097 144.4
[M]+ 186.04575 142.5
[M]- 186.04685 142.5
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