CID 131751840

4-hydroxy-6-eicosanone

Structural Information

Molecular Formula

C₂₀H₄₀O₂

SMILES

CCCCCCCCCCCCCCC(=O)CC(CCC)O

InChI

InChI=1S/C20H40O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-20(22)18-19(21)16-4-2/h19,21H,3-18H2,1-2H3

InChIKey

SGLIGOVXSAHBRY-UHFFFAOYSA-N

Compound name

4-hydroxyicosan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.30283 Da
Monoisotopic Mass: 7.3
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]+	313.31011	186.0
[M+Na]+	335.29205	192.6
[M+NH4]+	330.33665	191.0
[M+K]+	351.26599	185.2
[M-H]-	311.29555	183.8
[M+Na-2H]-	333.27750	185.1
[M]+	312.30228	185.9
[M]-	312.30338	185.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.