CID 19596543

21053-25-8

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC1=CC=C(C=C1)C2=CC(=O)NO2

InChI

InChI=1S/C10H9NO2/c1-7-2-4-8(5-3-7)9-6-10(12)11-13-9/h2-6H,1H3,(H,11,12)

InChIKey

AWYXDNPIIRBIMO-UHFFFAOYSA-N

Compound name

5-(4-methylphenyl)-1,2-oxazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 175.06332 Da
Monoisotopic Mass: 1.7
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]+	176.07060	134.4
[M+Na]+	198.05254	148.7
[M+NH4]+	193.09714	142.7
[M+K]+	214.02648	144.4
[M-H]-	174.05604	138.5
[M+Na-2H]-	196.03799	142.3
[M]+	175.06277	137.6
[M]-	175.06387	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe