CID 81861

1-[2-(2-methoxyethoxy)ethoxy]butane

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CCCCOCCOCCOC

InChI

InChI=1S/C9H20O3/c1-3-4-5-11-8-9-12-7-6-10-2/h3-9H2,1-2H3

InChIKey

HYLLZXPMJRMUHH-UHFFFAOYSA-N

Compound name

1-[2-(2-methoxyethoxy)ethoxy]butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8495
Patents: 176.14125 Da
Monoisotopic Mass: 1.1
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]+	177.148526	141.4
[M+Na]+	199.130468	147.4
[M-H]-	175.133974	141.1
[M+NH4]+	194.175073	161.9
[M+K]+	215.104408	147.8
[M+H-H2O]+	159.138510	136.0
[M+HCOO]-	221.139451	165.0
[M+CH3COO]-	235.155101	182.2
[M+Na-2H]-	197.115916	147.0
[M]+	176.14070142	148.3
[M]-	176.14179858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe