CID 12659617

(2-aminoethyl)(decyl)amine

Structural Information

Molecular Formula

C₁₂H₂₈N₂

SMILES

CCCCCCCCCCNCCN

InChI

InChI=1S/C12H28N2/c1-2-3-4-5-6-7-8-9-11-14-12-10-13/h14H,2-13H2,1H3

InChIKey

YZPMGCUOUVFLJC-UHFFFAOYSA-N

Compound name

N'-decylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 238
Patents: 200.22525 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]+	201.232526	153.7
[M+Na]+	223.214468	156.6
[M-H]-	199.217974	152.1
[M+NH4]+	218.259073	172.2
[M+K]+	239.188408	154.4
[M+H-H2O]+	183.222510	147.2
[M+HCOO]-	245.223451	176.8
[M+CH3COO]-	259.239101	194.5
[M+Na-2H]-	221.199916	156.9
[M]+	200.22470142	154.5
[M]-	200.22579858	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe