CID 25245508

18-oxo-oleate

Structural Information

Molecular Formula
C18H32O3
SMILES
C(CCC/C=C/CCCCCCCC(=O)O)CCCC=O
InChI
InChI=1S/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,17H,3-16H2,(H,20,21)/b2-1+
InChIKey
SNOSCANYFCXCGY-OWOJBTEDSA-N
Compound name
(E)-18-oxooctadec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

296.23514 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24242 178.9
[M+Na]+ 319.22436 181.4
[M-H]- 295.22786 175.6
[M+NH4]+ 314.26896 193.5
[M+K]+ 335.19830 177.2
[M+H-H2O]+ 279.23240 172.3
[M+HCOO]- 341.23334 197.6
[M+CH3COO]- 355.24899 204.1
[M+Na-2H]- 317.20981 177.9
[M]+ 296.23459 184.4
[M]- 296.23569 184.4
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

No patent data available for this compound.