CID 229722

2-[2-(benzyloxy)ethoxy]ethan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

C1=CC=C(C=C1)COCCOCCO

InChI

InChI=1S/C11H16O3/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2

InChIKey

LJVNVNLFZQFJHU-UHFFFAOYSA-N

Compound name

2-(2-phenylmethoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3226
Patents: 196.10994 Da
Monoisotopic Mass: 0.7
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]+	197.117216	143.2
[M+Na]+	219.099158	149.1
[M-H]-	195.102664	144.8
[M+NH4]+	214.143763	161.7
[M+K]+	235.073098	147.4
[M+H-H2O]+	179.107200	136.9
[M+HCOO]-	241.108141	166.3
[M+CH3COO]-	255.123791	180.8
[M+Na-2H]-	217.084606	149.8
[M]+	196.10939142	146.2
[M]-	196.11048858	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe