CID 45082667

163719-78-6

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CCOC(=O)C1=NOC(=N1)C=C
InChI
InChI=1S/C7H8N2O3/c1-3-5-8-6(9-12-5)7(10)11-4-2/h3H,1,4H2,2H3
InChIKey
UVDPMYFYUQZZEN-UHFFFAOYSA-N
Compound name
ethyl 5-ethenyl-1,2,4-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.0535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 132.2
[M+Na]+ 191.042718 141.6
[M-H]- 167.046224 134.1
[M+NH4]+ 186.087323 150.6
[M+K]+ 207.016658 142.0
[M+H-H2O]+ 151.050760 125.4
[M+HCOO]- 213.051701 154.7
[M+CH3COO]- 227.067351 176.3
[M+Na-2H]- 189.028166 138.0
[M]+ 168.05295142 136.2
[M]- 168.05404858 136.2
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