CID 4295554

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

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₃

SMILES

CCOC(=O)C1=NOC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O3/c1-2-15-11(14)9-12-10(16-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey

HPUMZVCZZDZNTC-UHFFFAOYSA-N

Compound name

ethyl 5-phenyl-1,2,4-oxadiazole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 218.06914 Da
Monoisotopic Mass: 2.4
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]+	219.07642	145.9
[M+Na]+	241.05836	159.0
[M+NH4]+	236.10296	152.8
[M+K]+	257.03230	155.7
[M-H]-	217.06186	148.8
[M+Na-2H]-	239.04381	153.0
[M]+	218.06859	148.4
[M]-	218.06969	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe