CID 526900

Ethanol, 2-[2-(pentyloxy)ethoxy]-

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: 3247
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]+	177.148526	142.1
[M+Na]+	199.130468	147.6
[M-H]-	175.133974	140.3
[M+NH4]+	194.175073	161.8
[M+K]+	215.104408	147.1
[M+H-H2O]+	159.138510	136.9
[M+HCOO]-	221.139451	164.1
[M+CH3COO]-	235.155101	179.5
[M+Na-2H]-	197.115916	147.1
[M]+	176.14070142	147.0
[M]-	176.14179858	147.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe