CID 558984

Tetrahydropyranyldiethyleneglycol

Structural Information

Molecular Formula

C₉H₁₈O₄

SMILES

C1CCOC(C1)OCCOCCO

InChI

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

InChIKey

CPCUDERUJBARLD-UHFFFAOYSA-N

Compound name

2-[2-(oxan-2-yloxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 190.12051 Da
Monoisotopic Mass: 0.1
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	142.0
[M+Na]+	213.109728	145.7
[M-H]-	189.113234	143.5
[M+NH4]+	208.154333	159.2
[M+K]+	229.083668	146.5
[M+H-H2O]+	173.117770	135.9
[M+HCOO]-	235.118711	160.6
[M+CH3COO]-	249.134361	177.9
[M+Na-2H]-	211.095176	147.8
[M]+	190.11996142	142.1
[M]-	190.12105858	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe