CID 112619571

Potassium 5-(2-methanesulfonylpropan-2-yl)-1,3,4-oxadiazole-2-carboxylate

Structural Information

Molecular Formula
C7H10N2O5S
SMILES
CC(C)(C1=NN=C(O1)C(=O)O)S(=O)(=O)C
InChI
InChI=1S/C7H10N2O5S/c1-7(2,15(3,12)13)6-9-8-4(14-6)5(10)11/h1-3H3,(H,10,11)
InChIKey
YQLKISWASOZWSP-UHFFFAOYSA-N
Compound name
5-(2-methylsulfonylpropan-2-yl)-1,3,4-oxadiazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.03104 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03832 147.2
[M+Na]+ 257.02026 156.8
[M-H]- 233.02376 148.7
[M+NH4]+ 252.06486 162.8
[M+K]+ 272.99420 156.7
[M+H-H2O]+ 217.02830 142.2
[M+HCOO]- 279.02924 160.7
[M+CH3COO]- 293.04489 182.7
[M+Na-2H]- 255.00571 151.6
[M]+ 234.03049 152.7
[M]- 234.03159 152.7
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.