CID 62342

93-96-9

Structural Information

Molecular Formula

C₁₆H₁₈O

SMILES

CC(C1=CC=CC=C1)OC(C)C2=CC=CC=C2

InChI

InChI=1S/C16H18O/c1-13(15-9-5-3-6-10-15)17-14(2)16-11-7-4-8-12-16/h3-14H,1-2H3

InChIKey

WXAVSTZWKNIWCN-UHFFFAOYSA-N

Compound name

1-(1-phenylethoxy)ethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 897
Patents: 226.13577 Da
Monoisotopic Mass: 3.9
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]+	227.14305	153.0
[M+Na]+	249.12499	158.1
[M-H]-	225.12849	159.1
[M+NH4]+	244.16959	170.5
[M+K]+	265.09893	155.3
[M+H-H2O]+	209.13303	145.5
[M+HCOO]-	271.13397	174.9
[M+CH3COO]-	285.14962	191.9
[M+Na-2H]-	247.11044	157.5
[M]+	226.13522	152.9
[M]-	226.13632	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe