CID 225481

4491-47-8

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C

InChI

InChI=1S/C12H11NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-7H,1-2H3

InChIKey

FSYXZIPYOMWJOP-UHFFFAOYSA-N

Compound name

2-phenyl-4-propan-2-ylidene-1,3-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 1
Patents: 201.07898 Da
Monoisotopic Mass: 2.9
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]+	202.08626	143.5
[M+Na]+	224.06820	156.7
[M+NH4]+	219.11280	151.4
[M+K]+	240.04214	152.6
[M-H]-	200.07170	147.4
[M+Na-2H]-	222.05365	150.1
[M]+	201.07843	146.4
[M]-	201.07953	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe