CID 79480370

[2-(2-aminoethoxy)ethyl](ethyl)amine

Structural Information

Molecular Formula

C₆H₁₆N₂O

SMILES

CCNCCOCCN

InChI

InChI=1S/C6H16N2O/c1-2-8-4-6-9-5-3-7/h8H,2-7H2,1H3

InChIKey

VQUWJUIPMCCLSD-UHFFFAOYSA-N

Compound name

2-[2-(ethylamino)ethoxy]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 132.12627 Da
Monoisotopic Mass: -0.9
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]+	133.13355	129.5
[M+Na]+	155.11549	135.0
[M-H]-	131.11899	129.1
[M+NH4]+	150.16009	150.7
[M+K]+	171.08943	134.7
[M+H-H2O]+	115.12353	124.0
[M+HCOO]-	177.12447	154.9
[M+CH3COO]-	191.14012	178.2
[M+Na-2H]-	153.10094	135.9
[M]+	132.12572	129.6
[M]-	132.12682	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe