CID 5312920

19-oxo-eicosanoic acid

Structural Information

Molecular Formula
C20H38O3
SMILES
CC(=O)CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C20H38O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h2-18H2,1H3,(H,22,23)
InChIKey
HFBZWKDJHBQKOO-UHFFFAOYSA-N
Compound name
19-oxoicosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

326.2821 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.28938 190.1
[M+Na]+ 349.27132 191.1
[M-H]- 325.27482 186.4
[M+NH4]+ 344.31592 203.4
[M+K]+ 365.24526 187.5
[M+H-H2O]+ 309.27936 183.1
[M+HCOO]- 371.28030 206.9
[M+CH3COO]- 385.29595 212.2
[M+Na-2H]- 347.25677 186.7
[M]+ 326.28155 196.4
[M]- 326.28265 196.4
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