CID 66368640

69906-55-4

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1C(CC1=O)OC2=CC=CC=C2

InChI

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

InChIKey

TYUULSNADYPSMV-UHFFFAOYSA-N

Compound name

3-phenoxycyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 162.06808 Da
Monoisotopic Mass: 1.4
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]+	163.075356	126.1
[M+Na]+	185.057298	132.8
[M-H]-	161.060804	132.9
[M+NH4]+	180.101903	140.4
[M+K]+	201.031238	134.3
[M+H-H2O]+	145.065340	115.2
[M+HCOO]-	207.066281	149.4
[M+CH3COO]-	221.081931	180.3
[M+Na-2H]-	183.042746	133.2
[M]+	162.06753142	134.8
[M]-	162.06862858	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe