CID 18761999

2-n-octyl-1-dodecylamine

Structural Information

Molecular Formula

C₂₀H₄₃N

SMILES

CCCCCCCCCCC(CCCCCCCC)CN

InChI

InChI=1S/C20H43N/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20H,3-19,21H2,1-2H3

InChIKey

VDNQHHBRKZQBPY-UHFFFAOYSA-N

Compound name

2-octyldodecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 419
Patents: 297.33954 Da
Monoisotopic Mass: 8.9
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]+	298.34682	187.5
[M+Na]+	320.32876	187.8
[M-H]-	296.33226	184.6
[M+NH4]+	315.37336	202.4
[M+K]+	336.30270	183.9
[M+H-H2O]+	280.33680	180.1
[M+HCOO]-	342.33774	206.0
[M+CH3COO]-	356.35339	214.4
[M+Na-2H]-	318.31421	184.9
[M]+	297.33899	191.6
[M]-	297.34009	191.6

Literature stripe

literature stripe

Patent stripe

patents stripe