CID 81604

N-hexadecylpropane-1,3-diamine

Structural Information

Molecular Formula

C₁₉H₄₂N₂

SMILES

CCCCCCCCCCCCCCCCNCCCN

InChI

InChI=1S/C19H42N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h21H,2-20H2,1H3

InChIKey

UKNVXIMLHBKVAE-UHFFFAOYSA-N

Compound name

N'-hexadecylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 540
Patents: 298.3348 Da
Monoisotopic Mass: 7.0
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]+	299.342076	184.2
[M+Na]+	321.324018	184.2
[M-H]-	297.327524	181.2
[M+NH4]+	316.368623	198.7
[M+K]+	337.297958	180.1
[M+H-H2O]+	281.332060	176.3
[M+HCOO]-	343.333001	205.0
[M+CH3COO]-	357.348651	215.6
[M+Na-2H]-	319.309466	183.8
[M]+	298.33425142	187.7
[M]-	298.33534858	187.7

Literature stripe

literature stripe

Patent stripe

patents stripe