CID 23269

3-phenyloxolan-2-one

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1COC(=O)C1C2=CC=CC=C2

InChI

InChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey

QGHNDAKWOGAJHS-UHFFFAOYSA-N

Compound name

3-phenyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 169
Patents: 162.06808 Da
Monoisotopic Mass: 1.9
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]+	163.07536	132.6
[M+Na]+	185.05730	145.5
[M+NH4]+	180.10190	142.1
[M+K]+	201.03124	140.8
[M-H]-	161.06080	137.7
[M+Na-2H]-	183.04275	140.0
[M]+	162.06753	135.9
[M]-	162.06863	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe