CID 63382714

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

Structural Information

Molecular Formula
C5H6N2O4
SMILES
COCC1=NC(=NO1)C(=O)O
InChI
InChI=1S/C5H6N2O4/c1-10-2-3-6-4(5(8)9)7-11-3/h2H2,1H3,(H,8,9)
InChIKey
GZDWFYMUTYKOPK-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.03276 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04004 129.3
[M+Na]+ 181.02198 139.5
[M+NH4]+ 176.06658 134.9
[M+K]+ 196.99592 138.8
[M-H]- 157.02548 128.4
[M+Na-2H]- 179.00743 132.5
[M]+ 158.03221 130.0
[M]- 158.03331 130.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.