CID 5312919

3-oxo-nonadecanoic acid

Structural Information

Molecular Formula
C19H36O3
SMILES
CCCCCCCCCCCCCCCCC(=O)CC(=O)O
InChI
InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19(21)22/h2-17H2,1H3,(H,21,22)
InChIKey
SFGWEVNROKIRBY-UHFFFAOYSA-N
Compound name
3-oxononadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.26645 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.273726 185.6
[M+Na]+ 335.255668 187.1
[M-H]- 311.259174 182.2
[M+NH4]+ 330.300273 199.5
[M+K]+ 351.229608 183.7
[M+H-H2O]+ 295.263710 178.8
[M+HCOO]- 357.264651 202.7
[M+CH3COO]- 371.280301 209.3
[M+Na-2H]- 333.241116 182.8
[M]+ 312.26590142 191.6
[M]- 312.26699858 191.6
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.