CID 45179

1,18-octadecanediamine

Structural Information

Molecular Formula

C₁₈H₄₀N₂

SMILES

C(CCCCCCCCCN)CCCCCCCCN

InChI

InChI=1S/C18H40N2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h1-20H2

InChIKey

CJYCVQJRVSAFKB-UHFFFAOYSA-N

Compound name

octadecane-1,18-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4969
Patents: 284.31915 Da
Monoisotopic Mass: 6.3
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]+	285.32643	179.9
[M+Na]+	307.30837	180.3
[M-H]-	283.31187	176.6
[M+NH4]+	302.35297	194.7
[M+K]+	323.28231	176.2
[M+H-H2O]+	267.31641	172.2
[M+HCOO]-	329.31735	200.4
[M+CH3COO]-	343.33300	211.9
[M+Na-2H]-	305.29382	179.0
[M]+	284.31860	182.0
[M]-	284.31970	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.