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

6
Annotation Hits: 182
References: 61955
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]+	242.284226	168.5
[M+Na]+	264.266168	170.6
[M-H]-	240.269674	166.2
[M+NH4]+	259.310773	185.7
[M+K]+	280.240108	167.4
[M+H-H2O]+	224.274210	161.8
[M+HCOO]-	286.275151	189.3
[M+CH3COO]-	300.290801	201.7
[M+Na-2H]-	262.251616	169.3
[M]+	241.27640142	171.7
[M]-	241.27749858	171.7

Literature stripe

literature stripe

Patent stripe

patents stripe