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 197.5
[M+Na]+ 375.32336 204.1
[M+NH4]+ 370.36796 202.1
[M+K]+ 391.29730 195.6
[M-H]- 351.32686 195.5
[M+Na-2H]- 373.30881 196.4
[M]+ 352.33359 197.5
[M]- 352.33469 197.5
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.