CID 14049

Tri-n-decylamine

Structural Information

Molecular Formula

C₃₀H₆₃N

SMILES

CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC

InChI

InChI=1S/C30H63N/c1-4-7-10-13-16-19-22-25-28-31(29-26-23-20-17-14-11-8-5-2)30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3

InChIKey

COFKFSSWMQHKMD-UHFFFAOYSA-N

Compound name

N,N-didecyldecan-1-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 5613
Patents: 437.49606 Da
Monoisotopic Mass: 13.8
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]+	438.50334	230.6
[M+Na]+	460.48528	227.2
[M-H]-	436.48878	227.6
[M+NH4]+	455.52988	242.1
[M+K]+	476.45922	221.9
[M+H-H2O]+	420.49332	221.1
[M+HCOO]-	482.49426	251.9
[M+CH3COO]-	496.50991	247.1
[M+Na-2H]-	458.47073	224.3
[M]+	437.49551	241.5
[M]-	437.49661	241.5

Literature stripe

literature stripe

Patent stripe

patents stripe