CID 82405827

5-(tert-butyl)-1,2,3-thiadiazole-4-carboxylic acid

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC(C)(C)C1=C(N=NS1)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-7(2,3)5-4(6(10)11)8-9-12-5/h1-3H3,(H,10,11)
InChIKey
DNNMIDRQBFXNMG-UHFFFAOYSA-N
Compound name
5-tert-butylthiadiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 139.8
[M+Na]+ 209.03552 149.2
[M-H]- 185.03902 140.4
[M+NH4]+ 204.08012 159.0
[M+K]+ 225.00946 147.4
[M+H-H2O]+ 169.04356 134.2
[M+HCOO]- 231.04450 154.6
[M+CH3COO]- 245.06015 176.7
[M+Na-2H]- 207.02097 141.6
[M]+ 186.04575 142.4
[M]- 186.04685 142.4
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

No patent data available for this compound.