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
2
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]+ 313.27373 185.6
[M+Na]+ 335.25567 187.1
[M-H]- 311.25917 182.2
[M+NH4]+ 330.30027 199.5
[M+K]+ 351.22961 183.7
[M+H-H2O]+ 295.26371 178.8
[M+HCOO]- 357.26465 202.7
[M+CH3COO]- 371.28030 209.3
[M+Na-2H]- 333.24112 182.8
[M]+ 312.26590 191.6
[M]- 312.26700 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.