CID 91701184

6,8-docosanedione

Structural Information

Molecular Formula
C22H42O2
SMILES
CCCCCCCCCCCCCCC(=O)CC(=O)CCCCC
InChI
InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-17-19-22(24)20-21(23)18-16-6-4-2/h3-20H2,1-2H3
InChIKey
JFNKGJXCTSFELO-UHFFFAOYSA-N
Compound name
docosane-6,8-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 195.8
[M+Na]+ 361.30770 196.6
[M-H]- 337.31120 193.3
[M+NH4]+ 356.35230 209.5
[M+K]+ 377.28164 192.8
[M+H-H2O]+ 321.31574 188.5
[M+HCOO]- 383.31668 213.2
[M+CH3COO]- 397.33233 218.9
[M+Na-2H]- 359.29315 191.9
[M]+ 338.31793 203.4
[M]- 338.31903 203.4
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.