CID 91713156

4,6-nonadecanedione

Structural Information

Molecular Formula
C19H36O2
SMILES
CCCCCCCCCCCCCC(=O)CC(=O)CCC
InChI
InChI=1S/C19H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-16-19(21)17-18(20)15-4-2/h3-17H2,1-2H3
InChIKey
ASSQAPAKOQZNJP-UHFFFAOYSA-N
Compound name
nonadecane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.27155 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.278826 182.3
[M+Na]+ 319.260768 184.3
[M-H]- 295.264274 180.4
[M+NH4]+ 314.305373 197.7
[M+K]+ 335.234708 181.3
[M+H-H2O]+ 279.268810 175.6
[M+HCOO]- 341.269751 200.7
[M+CH3COO]- 355.285401 210.1
[M+Na-2H]- 317.246216 180.0
[M]+ 296.27100142 188.8
[M]- 296.27209858 188.8
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

patents stripe