CID 12404

1-eicosanol

Structural Information

Molecular Formula

C₂₀H₄₂O

SMILES

CCCCCCCCCCCCCCCCCCCCO

InChI

InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3

InChIKey

BTFJIXJJCSYFAL-UHFFFAOYSA-N

Compound name

icosan-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 162
References: 74790
Patents: 298.32358 Da
Monoisotopic Mass: 9.5
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]+	299.33086	183.4
[M+Na]+	321.31280	191.1
[M+NH4]+	316.35740	189.5
[M+K]+	337.28674	181.6
[M-H]-	297.31630	182.4
[M+Na-2H]-	319.29825	183.8
[M]+	298.32303	184.0
[M]-	298.32413	184.0

Literature stripe

literature stripe

Patent stripe

patents stripe