CID 11622836

7-ethyltridecane-4,6-dione

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCC(CC)C(=O)CC(=O)CCC
InChI
InChI=1S/C15H28O2/c1-4-7-8-9-11-13(6-3)15(17)12-14(16)10-5-2/h13H,4-12H2,1-3H3
InChIKey
ZDIRYKYTPBOIJD-UHFFFAOYSA-N
Compound name
7-ethyltridecane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 164.2
[M+Na]+ 263.198138 167.7
[M-H]- 239.201644 163.1
[M+NH4]+ 258.242743 181.8
[M+K]+ 279.172078 166.2
[M+H-H2O]+ 223.206180 158.4
[M+HCOO]- 285.207121 183.0
[M+CH3COO]- 299.222771 199.0
[M+Na-2H]- 261.183586 162.8
[M]+ 240.20837142 168.5
[M]- 240.20946858 168.5
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.