CID 40540

Refchem:453189

Structural Information

Molecular Formula

C₉H₁₈O₄

SMILES

C1CC(OC1)COCCOCCO

InChI

InChI=1S/C9H18O4/c10-3-5-11-6-7-12-8-9-2-1-4-13-9/h9-10H,1-8H2

InChIKey

XOTDXFVGTLWKLI-UHFFFAOYSA-N

Compound name

2-[2-(oxolan-2-ylmethoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 44
References: 39
Patents: 190.12051 Da
Monoisotopic Mass: -0.3
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]+	191.127786	142.4
[M+Na]+	213.109728	147.0
[M-H]-	189.113234	144.1
[M+NH4]+	208.154333	161.4
[M+K]+	229.083668	147.7
[M+H-H2O]+	173.117770	136.8
[M+HCOO]-	235.118711	163.2
[M+CH3COO]-	249.134361	177.5
[M+Na-2H]-	211.095176	147.0
[M]+	190.11996142	144.6
[M]-	190.12105858	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe