CID 131751794

5,7-octacosanedione

Structural Information

Molecular Formula
C28H54O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCC
InChI
InChI=1S/C28H54O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(30)26-27(29)24-6-4-2/h3-26H2,1-2H3
InChIKey
XIHNOSKPPDYAGE-UHFFFAOYSA-N
Compound name
octacosane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.41238 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.41966 219.0
[M+Na]+ 445.40160 224.5
[M+NH4]+ 440.44620 224.1
[M+K]+ 461.37554 224.1
[M-H]- 421.40510 209.6
[M+Na-2H]- 443.38705 216.6
[M]+ 422.41183 218.7
[M]- 422.41293 218.7
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.