CID 22066200

18933-99-8

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

CCC1(COC1)COCC2=CC=CC=C2

InChI

InChI=1S/C13H18O2/c1-2-13(10-15-11-13)9-14-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3

InChIKey

DWFIEBGQPZWYND-UHFFFAOYSA-N

Compound name

3-ethyl-3-(phenylmethoxymethyl)oxetane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1245
Patents: 206.13068 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]+	207.13796	143.4
[M+Na]+	229.11990	151.8
[M+NH4]+	224.16450	149.8
[M+K]+	245.09384	145.1
[M-H]-	205.12340	145.7
[M+Na-2H]-	227.10535	150.1
[M]+	206.13013	144.3
[M]-	206.13123	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe