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: 1
Patents: 168.0535 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	169.06078	132.2
[M+Na]+	191.04272	141.6
[M-H]-	167.04622	134.1
[M+NH4]+	186.08732	150.6
[M+K]+	207.01666	142.0
[M+H-H2O]+	151.05076	125.4
[M+HCOO]-	213.05170	154.7
[M+CH3COO]-	227.06735	176.3
[M+Na-2H]-	189.02817	138.0
[M]+	168.05295	136.2
[M]-	168.05405	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe