CID 11789736

206751-75-9

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1CC(=O)C1OCC2=CC=CC=C2

InChI

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

InChIKey

HRPGUVFWKDCSSX-UHFFFAOYSA-N

Compound name

2-phenylmethoxycyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 141
Patents: 176.08372 Da
Monoisotopic Mass: 1.5
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	134.3
[M+Na]+	199.07294	143.0
[M+NH4]+	194.11754	139.5
[M+K]+	215.04688	138.1
[M-H]-	175.07644	135.3
[M+Na-2H]-	197.05839	140.1
[M]+	176.08317	134.6
[M]-	176.08427	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe