CID 83787

Bis(phenoxyethoxy)methane

Structural Information

Molecular Formula

C₁₇H₂₀O₄

SMILES

C1=CC=C(C=C1)OCCOCOCCOC2=CC=CC=C2

InChI

InChI=1S/C17H20O4/c1-3-7-16(8-4-1)20-13-11-18-15-19-12-14-21-17-9-5-2-6-10-17/h1-10H,11-15H2

InChIKey

GKJNKWKTBXIQDE-UHFFFAOYSA-N

Compound name

2-(2-phenoxyethoxymethoxy)ethoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 288.13617 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]+	289.14345	167.8
[M+Na]+	311.12539	181.3
[M+NH4]+	306.16999	175.7
[M+K]+	327.09933	172.8
[M-H]-	287.12889	171.8
[M+Na-2H]-	309.11084	176.9
[M]+	288.13562	170.9
[M]-	288.13672	170.9

Literature stripe

literature stripe

Patent stripe

patents stripe