CID 3023535

4-octene-1,8-diamine

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

C(CC=CCCCN)CN

InChI

InChI=1S/C8H18N2/c9-7-5-3-1-2-4-6-8-10/h1-2H,3-10H2

InChIKey

DRHRDPAGERBYMT-UHFFFAOYSA-N

Compound name

oct-4-ene-1,8-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 142.147 Da
Monoisotopic Mass: 0.3
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]+	143.154276	134.9
[M+Na]+	165.136218	140.0
[M-H]-	141.139724	133.7
[M+NH4]+	160.180823	155.5
[M+K]+	181.110158	137.8
[M+H-H2O]+	125.144260	129.4
[M+HCOO]-	187.145201	159.0
[M+CH3COO]-	201.160851	180.0
[M+Na-2H]-	163.121666	139.2
[M]+	142.14645142	132.5
[M]-	142.14754858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe