CID 3094

Dioctylamine

Structural Information

Molecular Formula

C₁₆H₃₅N

SMILES

CCCCCCCCNCCCCCCCC

InChI

InChI=1S/C16H35N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3

InChIKey

LAWOZCWGWDVVSG-UHFFFAOYSA-N

Compound name

N-octyloctan-1-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 7
References: 32374
Patents: 241.27695 Da
Monoisotopic Mass: 6.6
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]+	242.284226	168.2
[M+Na]+	264.266168	170.3
[M-H]-	240.269674	166.5
[M+NH4]+	259.310773	185.7
[M+K]+	280.240108	167.5
[M+H-H2O]+	224.274210	161.5
[M+HCOO]-	286.275151	189.6
[M+CH3COO]-	300.290801	202.4
[M+Na-2H]-	262.251616	170.1
[M]+	241.27640142	172.5
[M]-	241.27749858	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe