CID 83132

N,n'-diethylhexamethylenediamine

Structural Information

Molecular Formula

C₁₀H₂₄N₂

SMILES

CCNCCCCCCNCC

InChI

InChI=1S/C10H24N2/c1-3-11-9-7-5-6-8-10-12-4-2/h11-12H,3-10H2,1-2H3

InChIKey

LDQWVRMGQLAWMN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1184
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]+	173.20123	144.6
[M+Na]+	195.18317	148.3
[M-H]-	171.18667	144.0
[M+NH4]+	190.22777	164.5
[M+K]+	211.15711	147.0
[M+H-H2O]+	155.19121	138.5
[M+HCOO]-	217.19215	169.0
[M+CH3COO]-	231.20780	189.1
[M+Na-2H]-	193.16862	149.9
[M]+	172.19340	145.7
[M]-	172.19450	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe