CID 12841412

Bis(3-aminopropyl) ether

Structural Information

Molecular Formula

C₆H₁₆N₂O

SMILES

C(CN)COCCCN

InChI

InChI=1S/C6H16N2O/c7-3-1-5-9-6-2-4-8/h1-8H2

InChIKey

KRPRVQWGKLEFKN-UHFFFAOYSA-N

Compound name

3-(3-aminopropoxy)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6051
Patents: 132.12627 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]+	133.13355	129.7
[M+Na]+	155.11549	135.2
[M-H]-	131.11899	128.7
[M+NH4]+	150.16009	150.6
[M+K]+	171.08943	134.6
[M+H-H2O]+	115.12353	124.2
[M+HCOO]-	177.12447	154.5
[M+CH3COO]-	191.14012	177.5
[M+Na-2H]-	153.10094	135.0
[M]+	132.12572	128.7
[M]-	132.12682	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe