CID 12355251

7713-58-8

Structural Information

Molecular Formula

C₁₀H₉NO₂

SMILES

CN1C(=CC(=O)O1)C2=CC=CC=C2

InChI

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

InChIKey

UHIFBCFPFDNCNN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 175.06332 Da
Monoisotopic Mass: 2.1
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]+	176.070596	132.2
[M+Na]+	198.052538	142.8
[M-H]-	174.056044	139.3
[M+NH4]+	193.097143	151.9
[M+K]+	214.026478	141.4
[M+H-H2O]+	158.060580	125.7
[M+HCOO]-	220.061521	157.3
[M+CH3COO]-	234.077171	178.0
[M+Na-2H]-	196.037986	139.4
[M]+	175.06277142	134.8
[M]-	175.06386858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe