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: 5017
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]+	285.326426	179.9
[M+Na]+	307.308368	180.3
[M-H]-	283.311874	176.6
[M+NH4]+	302.352973	194.7
[M+K]+	323.282308	176.2
[M+H-H2O]+	267.316410	172.2
[M+HCOO]-	329.317351	200.4
[M+CH3COO]-	343.333001	211.9
[M+Na-2H]-	305.293816	179.0
[M]+	284.31860142	182.0
[M]-	284.31969858	182.0

Literature stripe

literature stripe

Patent stripe

patents stripe