CID 20451

1-butoxy-2-ethoxyethane

Structural Information

Molecular Formula

C₈H₁₈O₂

SMILES

CCCCOCCOCC

InChI

InChI=1S/C8H18O2/c1-3-5-6-10-8-7-9-4-2/h3-8H2,1-2H3

InChIKey

ZWPUOFSQNASCII-UHFFFAOYSA-N

Compound name

1-(2-ethoxyethoxy)butane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4506
Patents: 146.13068 Da
Monoisotopic Mass: 1.6
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]+	147.13796	134.0
[M+Na]+	169.11990	140.4
[M-H]-	145.12340	133.9
[M+NH4]+	164.16450	155.7
[M+K]+	185.09384	140.7
[M+H-H2O]+	129.12794	129.1
[M+HCOO]-	191.12888	157.6
[M+CH3COO]-	205.14453	177.3
[M+Na-2H]-	167.10535	140.1
[M]+	146.13013	139.0
[M]-	146.13123	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe