CID 45082667

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

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	134.0
[M+Na]+	191.04272	145.0
[M+NH4]+	186.08732	140.0
[M+K]+	207.01666	142.9
[M-H]-	167.04622	133.9
[M+Na-2H]-	189.02817	137.7
[M]+	168.05295	135.2
[M]-	168.05405	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe