CID 237344

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

Structural Information

Molecular Formula

C₈H₁₉NO₂

SMILES

CCCCOCCOCCN

InChI

InChI=1S/C8H19NO2/c1-2-3-5-10-7-8-11-6-4-9/h2-9H2,1H3

InChIKey

LVFVRCPHJZOLAT-UHFFFAOYSA-N

Compound name

2-(2-butoxyethoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
Patents: 161.14159 Da
Monoisotopic Mass: 0.3
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]+	162.14887	138.1
[M+Na]+	184.13081	143.6
[M-H]-	160.13431	137.4
[M+NH4]+	179.17541	158.5
[M+K]+	200.10475	143.4
[M+H-H2O]+	144.13885	132.6
[M+HCOO]-	206.13979	162.1
[M+CH3COO]-	220.15544	181.3
[M+Na-2H]-	182.11626	143.3
[M]+	161.14104	141.3
[M]-	161.14214	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe