CID 191414

Ethyl 4-(benzyloxy)benzoate

Structural Information

Molecular Formula

C₁₆H₁₆O₃

SMILES

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

InChI

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

InChIKey

UMOKJIWMQFEFJE-UHFFFAOYSA-N

Compound name

ethyl 4-phenylmethoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 90
Patents: 256.10995 Da
Monoisotopic Mass: 3.6
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	158.6
[M+Na]+	279.09917	172.9
[M+NH4]+	274.14377	166.9
[M+K]+	295.07311	165.1
[M-H]-	255.10267	162.8
[M+Na-2H]-	277.08462	167.9
[M]+	256.10940	161.9
[M]-	256.11050	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe