CID 91713154

4,6-tricosanedione

Structural Information

Molecular Formula
C23H44O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCC
InChI
InChI=1S/C23H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(25)21-22(24)19-4-2/h3-21H2,1-2H3
InChIKey
OSWNBDSFXXEWTJ-UHFFFAOYSA-N
Compound name
tricosane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.33414 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.34142 200.3
[M+Na]+ 375.32336 200.6
[M-H]- 351.32686 197.5
[M+NH4]+ 370.36796 213.4
[M+K]+ 391.29730 196.5
[M+H-H2O]+ 335.33140 192.8
[M+HCOO]- 397.33234 217.3
[M+CH3COO]- 411.34799 221.9
[M+Na-2H]- 373.30881 195.8
[M]+ 352.33359 208.3
[M]- 352.33469 208.3
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.