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

0
Patents

296.27155 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.27883 182.3
[M+Na]+ 319.26077 184.3
[M-H]- 295.26427 180.4
[M+NH4]+ 314.30537 197.7
[M+K]+ 335.23471 181.3
[M+H-H2O]+ 279.26881 175.6
[M+HCOO]- 341.26975 200.7
[M+CH3COO]- 355.28540 210.1
[M+Na-2H]- 317.24622 180.0
[M]+ 296.27100 188.8
[M]- 296.27210 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

No patent data available for this compound.