CID 131751838

6-hydroxy-4-heneicosanone

Structural Information

Molecular Formula

C₂₁H₄₂O₂

SMILES

CCCCCCCCCCCCCCCC(CC(=O)CCC)O

InChI

InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-21(23)19-20(22)17-4-2/h21,23H,3-19H2,1-2H3

InChIKey

GHEJHXYNCGIREQ-UHFFFAOYSA-N

Compound name

6-hydroxyhenicosan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.31848 Da
Monoisotopic Mass: 7.8
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]+	327.32576	190.3
[M+Na]+	349.30770	196.7
[M+NH4]+	344.35230	195.2
[M+K]+	365.28164	189.1
[M-H]-	325.31120	188.1
[M+Na-2H]-	347.29315	189.2
[M]+	326.31793	190.2
[M]-	326.31903	190.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.