CID 3345103

N-hexylethylenediamine

Structural Information

Molecular Formula

C₈H₂₀N₂

SMILES

CCCCCCNCCN

InChI

InChI=1S/C8H20N2/c1-2-3-4-5-7-10-8-6-9/h10H,2-9H2,1H3

InChIKey

ADKFRZBUXRKWDL-UHFFFAOYSA-N

Compound name

N'-hexylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1008
Patents: 144.16264 Da
Monoisotopic Mass: 1.2
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]+	145.16992	135.8
[M+Na]+	167.15186	140.4
[M-H]-	143.15536	135.0
[M+NH4]+	162.19646	156.6
[M+K]+	183.12580	139.3
[M+H-H2O]+	127.15990	130.2
[M+HCOO]-	189.16084	160.3
[M+CH3COO]-	203.17649	182.3
[M+Na-2H]-	165.13731	141.2
[M]+	144.16209	135.2
[M]-	144.16319	135.2

Literature stripe

literature stripe

Patent stripe

patents stripe