CID 86117954

7,9-tetracosanedione

Structural Information

Molecular Formula
C24H46O2
SMILES
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCC
InChI
InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-19-21-24(26)22-23(25)20-18-8-6-4-2/h3-22H2,1-2H3
InChIKey
SXOSMRIOGCFODN-UHFFFAOYSA-N
Compound name
tetracosane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.3498 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.357076 204.7
[M+Na]+ 389.339018 204.6
[M-H]- 365.342524 201.8
[M+NH4]+ 384.383623 217.2
[M+K]+ 405.312958 200.3
[M+H-H2O]+ 349.347060 197.0
[M+HCOO]- 411.348001 221.4
[M+CH3COO]- 425.363651 224.8
[M+Na-2H]- 387.324466 199.7
[M]+ 366.34925142 213.1
[M]- 366.35034858 213.1
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.