CID 7138483

1,6-hexanediamine, n,n-diethyl-

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CCN(CC)CCCCCCN

InChI

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

InChIKey

TZBFEBDATQDIHX-UHFFFAOYSA-N

Compound name

N',N'-diethylhexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 389
Patents: 172.19395 Da
Monoisotopic Mass: 1.5
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]+	173.201226	145.8
[M+Na]+	195.183168	149.7
[M-H]-	171.186674	146.1
[M+NH4]+	190.227773	166.1
[M+K]+	211.157108	149.5
[M+H-H2O]+	155.191210	139.5
[M+HCOO]-	217.192151	170.1
[M+CH3COO]-	231.207801	191.9
[M+Na-2H]-	193.168616	149.2
[M]+	172.19340142	147.1
[M]-	172.19449858	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe