CID 538711

7,9-docosanedione

Structural Information

Molecular Formula

C₂₂H₄₂O₂

SMILES

CCCCCCCCCCCCCC(=O)CC(=O)CCCCCC

InChI

InChI=1S/C22H42O2/c1-3-5-7-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-8-6-4-2/h3-20H2,1-2H3

InChIKey

GDFKEQLEKXGCJB-UHFFFAOYSA-N

Compound name

docosane-7,9-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 338.31848 Da
Monoisotopic Mass: 8.5
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]+	339.32576	193.2
[M+Na]+	361.30770	200.0
[M+NH4]+	356.35230	198.0
[M+K]+	377.28164	191.8
[M-H]-	337.31120	191.3
[M+Na-2H]-	359.29315	192.4
[M]+	338.31793	193.3
[M]-	338.31903	193.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.