CID 7715

2-(2-phenoxyethoxy)ethanol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1=CC=C(C=C1)OCCOCCO

InChI

InChI=1S/C10H14O3/c11-6-7-12-8-9-13-10-4-2-1-3-5-10/h1-5,11H,6-9H2

InChIKey

ZUAURMBNZUCEAF-UHFFFAOYSA-N

Compound name

2-(2-phenoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 1
References: 11410
Patents: 182.0943 Da
Monoisotopic Mass: 1.0
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]+	183.101576	138.5
[M+Na]+	205.083518	144.9
[M-H]-	181.087024	140.4
[M+NH4]+	200.128123	157.7
[M+K]+	221.057458	143.5
[M+H-H2O]+	165.091560	132.5
[M+HCOO]-	227.092501	162.0
[M+CH3COO]-	241.108151	177.8
[M+Na-2H]-	203.068966	145.7
[M]+	182.09375142	141.2
[M]-	182.09484858	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe