CID 12699448

3-phenyloxetan-3-ol

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

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

InChI

InChI=1S/C9H10O2/c10-9(6-11-7-9)8-4-2-1-3-5-8/h1-5,10H,6-7H2

InChIKey

BHAIDFCOUGGIRI-UHFFFAOYSA-N

Compound name

3-phenyloxetan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 150.06808 Da
Monoisotopic Mass: 0.5
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]+	151.075356	124.5
[M+Na]+	173.057298	131.0
[M-H]-	149.060804	130.8
[M+NH4]+	168.101903	139.2
[M+K]+	189.031238	133.5
[M+H-H2O]+	133.065340	114.9
[M+HCOO]-	195.066281	145.6
[M+CH3COO]-	209.081931	174.1
[M+Na-2H]-	171.042746	134.3
[M]+	150.06753142	132.3
[M]-	150.06862858	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe