CID 14932787

30830-27-4

Structural Information

Molecular Formula

C₁₁H₁₂O₂

SMILES

C1C(CC1=O)OCC2=CC=CC=C2

InChI

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

InChIKey

GPPSQLLIFNWNSB-UHFFFAOYSA-N

Compound name

3-phenylmethoxycyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1370
Patents: 176.08372 Da
Monoisotopic Mass: 1.1
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]+	177.09100	130.9
[M+Na]+	199.07294	137.1
[M-H]-	175.07644	137.4
[M+NH4]+	194.11754	144.6
[M+K]+	215.04688	138.4
[M+H-H2O]+	159.08098	119.7
[M+HCOO]-	221.08192	153.8
[M+CH3COO]-	235.09757	183.2
[M+Na-2H]-	197.05839	137.4
[M]+	176.08317	139.9
[M]-	176.08427	139.9

Literature stripe

literature stripe

Patent stripe

patents stripe