CID 77062

N,n-dibutylethylenediamine

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CCCCN(CCCC)CCN

InChI

InChI=1S/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3

InChIKey

PWNDYKKNXVKQJO-UHFFFAOYSA-N

Compound name

N',N'-dibutylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2551
Patents: 172.19395 Da
Monoisotopic Mass: 1.8
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]+	173.20123	145.8
[M+Na]+	195.18317	149.7
[M-H]-	171.18667	146.1
[M+NH4]+	190.22777	166.1
[M+K]+	211.15711	149.5
[M+H-H2O]+	155.19121	139.5
[M+HCOO]-	217.19215	170.1
[M+CH3COO]-	231.20780	191.9
[M+Na-2H]-	193.16862	149.2
[M]+	172.19340	147.1
[M]-	172.19450	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe