CID 2737428

56441-69-1

Structural Information

Molecular Formula

C₁₇H₁₈O₃

SMILES

CCOC(=O)CC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C17H18O3/c1-2-19-17(18)12-14-8-10-16(11-9-14)20-13-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3

InChIKey

MMKJGLKGTNSPFJ-UHFFFAOYSA-N

Compound name

ethyl 2-(4-phenylmethoxyphenyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 63
Patents: 270.12558 Da
Monoisotopic Mass: 3.4
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]+	271.13286	162.9
[M+Na]+	293.11480	169.0
[M-H]-	269.11830	169.2
[M+NH4]+	288.15940	178.8
[M+K]+	309.08874	166.0
[M+H-H2O]+	253.12284	154.7
[M+HCOO]-	315.12378	186.1
[M+CH3COO]-	329.13943	197.6
[M+Na-2H]-	291.10025	167.3
[M]+	270.12503	166.2
[M]-	270.12613	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe