CID 44224312

2-(5-oxazolyl)benzaldehyde

Structural Information

Molecular Formula

C₁₀H₇NO₂

SMILES

C1=CC=C(C(=C1)C=O)C2=CN=CO2

InChI

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

InChIKey

OKUKACABAUEUID-UHFFFAOYSA-N

Compound name

2-(1,3-oxazol-5-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 173.04768 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]+	174.054956	132.1
[M+Na]+	196.036898	141.8
[M-H]-	172.040404	138.8
[M+NH4]+	191.081503	151.5
[M+K]+	212.010838	140.4
[M+H-H2O]+	156.044940	125.3
[M+HCOO]-	218.045881	157.1
[M+CH3COO]-	232.061531	176.8
[M+Na-2H]-	194.022346	140.0
[M]+	173.04713142	134.3
[M]-	173.04822858	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe