CID 495826

4-methyl-2-phenyl-2-oxazoline-5-one

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CC1C(=O)OC(=N1)C2=CC=CC=C2

InChI

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

InChIKey

HHPTWKXNGPGQJH-UHFFFAOYSA-N

Compound name

4-methyl-2-phenyl-4H-1,3-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 175.06332 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]+	176.07060	135.0
[M+Na]+	198.05254	148.9
[M+NH4]+	193.09714	143.6
[M+K]+	214.02648	144.5
[M-H]-	174.05604	139.4
[M+Na-2H]-	196.03799	142.6
[M]+	175.06277	138.2
[M]-	175.06387	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe