CID 12133

Triamylamine

Structural Information

Molecular Formula

C₁₅H₃₃N

SMILES

CCCCCN(CCCCC)CCCCC

InChI

InChI=1S/C15H33N/c1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3

InChIKey

OOHAUGDGCWURIT-UHFFFAOYSA-N

Compound name

N,N-dipentylpentan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 29970
Patents: 227.2613 Da
Monoisotopic Mass: 5.6
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]+	228.26858	162.0
[M+Na]+	250.25052	170.7
[M+NH4]+	245.29512	169.7
[M+K]+	266.22446	162.5
[M-H]-	226.25402	162.9
[M+Na-2H]-	248.23597	164.8
[M]+	227.26075	163.3
[M]-	227.26185	163.3

Literature stripe

literature stripe

Patent stripe

patents stripe