CID 99215

1835-11-6

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

CC(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3

InChIKey

HRUAWSQBQLYDKH-UHFFFAOYSA-N

Compound name

1-(3-methoxy-4-phenylmethoxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 295
Patents: 256.10995 Da
Monoisotopic Mass: 3.0
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]+	257.11723	158.0
[M+Na]+	279.09917	172.7
[M+NH4]+	274.14377	166.3
[M+K]+	295.07311	165.1
[M-H]-	255.10267	162.3
[M+Na-2H]-	277.08462	167.1
[M]+	256.10940	161.4
[M]-	256.11050	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe