CID 135973140

Ethyl 5-hydroxy-1,2,4-oxadiazole-3-carboxylate

Structural Information

Molecular Formula
C5H6N2O4
SMILES
CCOC(=O)C1=NOC(=O)N1
InChI
InChI=1S/C5H6N2O4/c1-2-10-4(8)3-6-5(9)11-7-3/h2H2,1H3,(H,6,7,9)
InChIKey
WAXXIDGUJFFVEJ-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-4H-1,2,4-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

158.03276 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.040036 126.8
[M+Na]+ 181.021978 136.5
[M-H]- 157.025484 127.6
[M+NH4]+ 176.066583 144.8
[M+K]+ 196.995918 136.8
[M+H-H2O]+ 141.030020 120.4
[M+HCOO]- 203.030961 148.6
[M+CH3COO]- 217.046611 170.0
[M+Na-2H]- 179.007426 133.1
[M]+ 158.03221142 129.6
[M]- 158.03330858 129.6
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