CID 13283021

92629-13-5

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

C1=CC=C(C=C1)C2=NC=C(O2)C=O

InChI

InChI=1S/C10H7NO2/c12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-7H

InChIKey

ONKFKUCOEAJPJA-UHFFFAOYSA-N

Compound name

2-phenyl-1,3-oxazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 173.04768 Da
Monoisotopic Mass: 1.8
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]+	174.05496	132.1
[M+Na]+	196.03690	141.8
[M-H]-	172.04040	138.8
[M+NH4]+	191.08150	151.5
[M+K]+	212.01084	140.4
[M+H-H2O]+	156.04494	125.3
[M+HCOO]-	218.04588	157.1
[M+CH3COO]-	232.06153	176.8
[M+Na-2H]-	194.02235	140.0
[M]+	173.04713	134.3
[M]-	173.04823	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe