CID 19990

Pentaethylenehexamine

Structural Information

Molecular Formula

C₁₀H₂₈N₆

SMILES

C(CNCCNCCNCCNCCN)N

InChI

InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2

InChIKey

LSHROXHEILXKHM-UHFFFAOYSA-N

Compound name

N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 38
References: 41196
Patents: 232.23755 Da
Monoisotopic Mass: -3.4
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]+	233.24483	149.7
[M+Na]+	255.22677	150.2
[M-H]-	231.23027	147.9
[M+NH4]+	250.27137	164.9
[M+K]+	271.20071	148.6
[M+H-H2O]+	215.23481	141.3
[M+HCOO]-	277.23575	176.8
[M+CH3COO]-	291.25140	208.9
[M+Na-2H]-	253.21222	154.7
[M]+	232.23700	145.7
[M]-	232.23810	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe