CID 562758

3-benzyloxolan-2-one

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1COC(=O)C1CC2=CC=CC=C2

InChI

InChI=1S/C11H12O2/c12-11-10(6-7-13-11)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2

InChIKey

FWTJDTQXENOXPC-UHFFFAOYSA-N

Compound name

3-benzyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
Patents: 176.08372 Da
Monoisotopic Mass: 2.2
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]+	177.09100	137.2
[M+Na]+	199.07294	149.8
[M+NH4]+	194.11754	146.5
[M+K]+	215.04688	144.9
[M-H]-	175.07644	142.3
[M+Na-2H]-	197.05839	144.3
[M]+	176.08317	140.4
[M]-	176.08427	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe