CID 469980

N,n'-dicyclopentyl-ethylenediamine

Structural Information

Molecular Formula

C₁₂H₂₄N₂

SMILES

C1CCC(C1)NCCNC2CCCC2

InChI

InChI=1S/C12H24N2/c1-2-6-11(5-1)13-9-10-14-12-7-3-4-8-12/h11-14H,1-10H2

InChIKey

LOZMWNGDZJWPDR-UHFFFAOYSA-N

Compound name

N,N'-dicyclopentylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 196.19395 Da
Monoisotopic Mass: 1.9
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]+	197.20123	147.9
[M+Na]+	219.18317	149.1
[M-H]-	195.18667	152.8
[M+NH4]+	214.22777	169.2
[M+K]+	235.15711	147.0
[M+H-H2O]+	179.19121	140.5
[M+HCOO]-	241.19215	170.5
[M+CH3COO]-	255.20780	187.6
[M+Na-2H]-	217.16862	149.1
[M]+	196.19340	140.6
[M]-	196.19450	140.6

Literature stripe

literature stripe

Patent stripe

patents stripe