CID 4204481

5-phenyl-1,3-oxazole-4-carbonitrile

Structural Information

Molecular Formula

C₁₀H₆N₂O

SMILES

C1=CC=C(C=C1)C2=C(N=CO2)C#N

InChI

InChI=1S/C10H6N2O/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H

InChIKey

RVYLXUPJRHATPI-UHFFFAOYSA-N

Compound name

5-phenyl-1,3-oxazole-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.04802 Da
Monoisotopic Mass: 2.1
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]+	171.05530	137.1
[M+Na]+	193.03724	150.9
[M+NH4]+	188.08184	142.6
[M+K]+	209.01118	142.7
[M-H]-	169.04074	134.3
[M+Na-2H]-	191.02269	143.1
[M]+	170.04747	137.6
[M]-	170.04857	137.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.