CID 86117952

6,8-tricosanedione

Structural Information

Molecular Formula
C23H44O2
SMILES
CCCCCCCCCCCCCCCC(=O)CC(=O)CCCCC
InChI
InChI=1S/C23H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-23(25)21-22(24)19-17-6-4-2/h3-21H2,1-2H3
InChIKey
XKMZZUYCBHPSGA-UHFFFAOYSA-N
Compound name
tricosane-6,8-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]+ 353.341416 200.3
[M+Na]+ 375.323358 200.6
[M-H]- 351.326864 197.5
[M+NH4]+ 370.367963 213.4
[M+K]+ 391.297298 196.5
[M+H-H2O]+ 335.331400 192.8
[M+HCOO]- 397.332341 217.3
[M+CH3COO]- 411.347991 221.9
[M+Na-2H]- 373.308806 195.8
[M]+ 352.33359142 208.3
[M]- 352.33468858 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

literature stripe

Patent stripe

patents stripe