CID 23358683

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

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC(C)(C)C1=NN=C(O1)C(=O)O
InChI
InChI=1S/C7H10N2O3/c1-7(2,3)6-9-8-4(12-6)5(10)11/h1-3H3,(H,10,11)
InChIKey
GICHIVOHAVLORQ-UHFFFAOYSA-N
Compound name
5-tert-butyl-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

170.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.076416 134.3
[M+Na]+ 193.058358 143.4
[M-H]- 169.061864 135.2
[M+NH4]+ 188.102963 152.1
[M+K]+ 209.032298 143.9
[M+H-H2O]+ 153.066400 128.5
[M+HCOO]- 215.067341 153.5
[M+CH3COO]- 229.082991 175.0
[M+Na-2H]- 191.043806 140.4
[M]+ 170.06859142 136.6
[M]- 170.06968858 136.6
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