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

85
Patents

158.03276 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04004 126.8
[M+Na]+ 181.02198 136.5
[M-H]- 157.02548 127.6
[M+NH4]+ 176.06658 144.8
[M+K]+ 196.99592 136.8
[M+H-H2O]+ 141.03002 120.4
[M+HCOO]- 203.03096 148.6
[M+CH3COO]- 217.04661 170.0
[M+Na-2H]- 179.00743 133.1
[M]+ 158.03221 129.6
[M]- 158.03331 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