CID 22831981

889939-04-2

Structural Information

Molecular Formula

C₁₀H₈N₂O₂

SMILES

CC(=O)C1=CC(=NO1)C2=CN=CC=C2

InChI

InChI=1S/C10H8N2O2/c1-7(13)10-5-9(12-14-10)8-3-2-4-11-6-8/h2-6H,1H3

InChIKey

KDWLANIMFVYTQF-UHFFFAOYSA-N

Compound name

1-(3-pyridin-3-yl-1,2-oxazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 188.05858 Da
Monoisotopic Mass: 1.0
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]+	189.06586	138.0
[M+Na]+	211.04780	151.8
[M+NH4]+	206.09240	145.7
[M+K]+	227.02174	148.2
[M-H]-	187.05130	141.5
[M+Na-2H]-	209.03325	145.9
[M]+	188.05803	140.9
[M]-	188.05913	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe