CID 469902

N,n'-di-n-pentyl-ethylenediamine

Structural Information

Molecular Formula

C₁₂H₂₈N₂

SMILES

CCCCCNCCNCCCCC

InChI

InChI=1S/C12H28N2/c1-3-5-7-9-13-11-12-14-10-8-6-4-2/h13-14H,3-12H2,1-2H3

InChIKey

PHKIRJNNBPMGKY-UHFFFAOYSA-N

Compound name

N,N'-dipentylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31
Patents: 200.22525 Da
Monoisotopic Mass: 3.0
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]+	201.23253	153.5
[M+Na]+	223.21447	156.4
[M-H]-	199.21797	152.5
[M+NH4]+	218.25907	172.3
[M+K]+	239.18841	154.6
[M+H-H2O]+	183.22251	147.0
[M+HCOO]-	245.22345	177.3
[M+CH3COO]-	259.23910	195.2
[M+Na-2H]-	221.19992	157.8
[M]+	200.22470	155.4
[M]-	200.22580	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe