CID 91701190

6,8-pentacosanedione

Structural Information

Molecular Formula
C25H48O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC
InChI
InChI=1S/C25H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h3-23H2,1-2H3
InChIKey
ZQDADPUQAZWEGX-UHFFFAOYSA-N
Compound name
pentacosane-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.36542 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.37270 209.2
[M+Na]+ 403.35464 208.6
[M-H]- 379.35814 206.0
[M+NH4]+ 398.39924 221.0
[M+K]+ 419.32858 204.0
[M+H-H2O]+ 363.36268 201.2
[M+HCOO]- 425.36362 225.5
[M+CH3COO]- 439.37927 227.7
[M+Na-2H]- 401.34009 203.6
[M]+ 380.36487 217.9
[M]- 380.36597 217.9
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.