CID 82700

1-eicosanamine

Structural Information

Molecular Formula

C₂₀H₄₃N

SMILES

CCCCCCCCCCCCCCCCCCCCN

InChI

InChI=1S/C20H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-21H2,1H3

InChIKey

BUHXFUSLEBPCEB-UHFFFAOYSA-N

Compound name

icosan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 7384
Patents: 297.33954 Da
Monoisotopic Mass: 9.6
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]+	298.34682	186.0
[M+Na]+	320.32876	186.5
[M-H]-	296.33226	183.0
[M+NH4]+	315.37336	201.0
[M+K]+	336.30270	182.2
[M+H-H2O]+	280.33680	178.6
[M+HCOO]-	342.33774	205.5
[M+CH3COO]-	356.35339	213.7
[M+Na-2H]-	318.31421	184.8
[M]+	297.33899	190.8
[M]-	297.34009	190.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.