CID 57856708

4-phenyloxolan-3-one

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1C(C(=O)CO1)C2=CC=CC=C2

InChI

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

InChIKey

FIIIECQDPFHWKL-UHFFFAOYSA-N

Compound name

4-phenyloxolan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 162.06808 Da
Monoisotopic Mass: 1.3
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	131.1
[M+Na]+	185.05730	138.6
[M-H]-	161.06080	138.5
[M+NH4]+	180.10190	152.1
[M+K]+	201.03124	137.8
[M+H-H2O]+	145.06534	125.4
[M+HCOO]-	207.06628	154.5
[M+CH3COO]-	221.08193	174.9
[M+Na-2H]-	183.04275	137.1
[M]+	162.06753	129.9
[M]-	162.06863	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe