CID 14261

Didecylamine

Structural Information

Molecular Formula

C₂₀H₄₃N

SMILES

CCCCCCCCCCNCCCCCCCCCC

InChI

InChI=1S/C20H43N/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3

InChIKey

GMTCPFCMAHMEMT-UHFFFAOYSA-N

Compound name

N-decyldecan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 13667
Patents: 297.33954 Da
Monoisotopic Mass: 8.8
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]+	298.346816	185.8
[M+Na]+	320.328758	186.3
[M-H]-	296.332264	183.3
[M+NH4]+	315.373363	201.1
[M+K]+	336.302698	182.4
[M+H-H2O]+	280.336800	178.3
[M+HCOO]-	342.337741	205.9
[M+CH3COO]-	356.353391	214.4
[M+Na-2H]-	318.314206	185.6
[M]+	297.33899142	191.6
[M]-	297.34008858	191.6

Literature stripe

literature stripe

Patent stripe

patents stripe