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 127.2
[M+Na]+ 181.02198 136.5
[M-H]- 157.02548 128.0
[M+NH4]+ 176.06658 145.2
[M+K]+ 196.99592 137.5
[M+H-H2O]+ 141.03002 120.7
[M+HCOO]- 203.03096 148.8
[M+CH3COO]- 217.04661 171.4
[M+Na-2H]- 179.00743 133.6
[M]+ 158.03221 130.8
[M]- 158.03331 130.8
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.