CID 57508774

Ethoxypropanol butyl ether

Structural Information

Molecular Formula

C₉H₂₀O₂

SMILES

CCCCOCCCOCC

InChI

InChI=1S/C9H20O2/c1-3-5-7-11-9-6-8-10-4-2/h3-9H2,1-2H3

InChIKey

BJVNUVBIMGZEPV-UHFFFAOYSA-N

Compound name

1-(3-ethoxypropoxy)butane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 66
Patents: 160.14633 Da
Monoisotopic Mass: 2.2
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]+	161.15361	138.6
[M+Na]+	183.13555	144.6
[M-H]-	159.13905	138.3
[M+NH4]+	178.18015	159.8
[M+K]+	199.10949	144.6
[M+H-H2O]+	143.14359	133.5
[M+HCOO]-	205.14453	161.9
[M+CH3COO]-	219.16018	180.3
[M+Na-2H]-	181.12100	144.2
[M]+	160.14578	144.0
[M]-	160.14688	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe