CID 300689

23116-94-1

Structural Information

Molecular Formula

C₁₆H₁₈O₅

SMILES

C1=CC=C(C(=C1)O)OCCOCCOC2=CC=CC=C2O

InChI

InChI=1S/C16H18O5/c17-13-5-1-3-7-15(13)20-11-9-19-10-12-21-16-8-4-2-6-14(16)18/h1-8,17-18H,9-12H2

InChIKey

OSXPDVOEVXVYKC-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-hydroxyphenoxy)ethoxy]ethoxy]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 290.11542 Da
Monoisotopic Mass: 2.3
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]+	291.12270	166.6
[M+Na]+	313.10464	179.4
[M+NH4]+	308.14924	173.3
[M+K]+	329.07858	172.7
[M-H]-	289.10814	169.2
[M+Na-2H]-	311.09009	173.8
[M]+	290.11487	169.0
[M]-	290.11597	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe