CID 11637954

7-ethylheptadecane-4,6-dione

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCCCCCCC(CC)C(=O)CC(=O)CCC
InChI
InChI=1S/C19H36O2/c1-4-7-8-9-10-11-12-13-15-17(6-3)19(21)16-18(20)14-5-2/h17H,4-16H2,1-3H3
InChIKey
PZVLPNHRVJKPJD-UHFFFAOYSA-N
Compound name
7-ethylheptadecane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.27155 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 182.7
[M+Na]+ 319.26077 184.5
[M-H]- 295.26427 180.8
[M+NH4]+ 314.30537 198.0
[M+K]+ 335.23471 181.9
[M+H-H2O]+ 279.26881 176.1
[M+HCOO]- 341.26975 200.1
[M+CH3COO]- 355.28540 210.8
[M+Na-2H]- 317.24622 179.1
[M]+ 296.27100 188.5
[M]- 296.27210 188.5
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

No patent data available for this compound.