CID 131751834

4-hydroxy-6-docosanone

Structural Information

Molecular Formula

C₂₂H₄₄O₂

SMILES

CCCCCCCCCCCCCCCCC(=O)CC(CCC)O

InChI

InChI=1S/C22H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-4-2/h21,23H,3-20H2,1-2H3

InChIKey

GBEUDUOROXAYDL-UHFFFAOYSA-N

Compound name

4-hydroxydocosan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 340.33414 Da
Monoisotopic Mass: 8.4
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]+	341.34142	194.7
[M+Na]+	363.32336	200.8
[M+NH4]+	358.36796	199.3
[M+K]+	379.29730	193.0
[M-H]-	339.32686	192.4
[M+Na-2H]-	361.30881	193.3
[M]+	340.33359	194.5
[M]-	340.33469	194.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.