CID 86117948

5,7-docosanedione

Structural Information

Molecular Formula
C22H42O2
SMILES
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCC
InChI
InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20-21(23)18-6-4-2/h3-20H2,1-2H3
InChIKey
LIVLDYFFASXFMN-UHFFFAOYSA-N
Compound name
docosane-5,7-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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.