CID 8926

Hexadecylamine

Structural Information

Molecular Formula

C₁₆H₃₅N

SMILES

CCCCCCCCCCCCCCCCN

InChI

InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3

InChIKey

FJLUATLTXUNBOT-UHFFFAOYSA-N

Compound name

hexadecan-1-amine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 182
References: 61119
Patents: 241.27695 Da
Monoisotopic Mass: 7.4
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]+	242.28423	166.2
[M+Na]+	264.26617	174.2
[M+NH4]+	259.31077	173.3
[M+K]+	280.24011	165.4
[M-H]-	240.26967	166.5
[M+Na-2H]-	262.25162	168.0
[M]+	241.27640	167.2
[M]-	241.27750	167.2

Literature stripe

literature stripe

Patent stripe

patents stripe