CID 86683

N,n-dibutyl-2-ethylhexylamine

Structural Information

Molecular Formula

C₁₆H₃₅N

SMILES

CCCCC(CC)CN(CCCC)CCCC

InChI

InChI=1S/C16H35N/c1-5-9-12-16(8-4)15-17(13-10-6-2)14-11-7-3/h16H,5-15H2,1-4H3

InChIKey

HVKQOPBXSVRTFF-UHFFFAOYSA-N

Compound name

N,N-dibutyl-2-ethylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 397
Patents: 241.27695 Da
Monoisotopic Mass: 5.9
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]+	242.284226	169.8
[M+Na]+	264.266168	172.0
[M-H]-	240.269674	169.8
[M+NH4]+	259.310773	188.0
[M+K]+	280.240108	171.0
[M+H-H2O]+	224.274210	163.1
[M+HCOO]-	286.275151	190.8
[M+CH3COO]-	300.290801	206.7
[M+Na-2H]-	262.251616	169.6
[M]+	241.27640142	174.7
[M]-	241.27749858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe