CID 526900

18912-81-7

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CCCCCOCCOCCO

InChI

InChI=1S/C9H20O3/c1-2-3-4-6-11-8-9-12-7-5-10/h10H,2-9H2,1H3

InChIKey

PWTNRNHDJZLBCD-UHFFFAOYSA-N

Compound name

2-(2-pentoxyethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3009
Patents: 176.14125 Da
Monoisotopic Mass: 1.2
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]+	177.14853	140.7
[M+Na]+	199.13047	149.7
[M+NH4]+	194.17507	147.5
[M+K]+	215.10441	143.9
[M-H]-	175.13397	139.1
[M+Na-2H]-	197.11592	143.1
[M]+	176.14070	141.2
[M]-	176.14180	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe