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
3
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]+ 297.242416 178.9
[M+Na]+ 319.224358 181.4
[M-H]- 295.227864 175.6
[M+NH4]+ 314.268963 193.5
[M+K]+ 335.198298 177.2
[M+H-H2O]+ 279.232400 172.3
[M+HCOO]- 341.233341 197.6
[M+CH3COO]- 355.248991 204.1
[M+Na-2H]- 317.209806 177.9
[M]+ 296.23459142 184.4
[M]- 296.23568858 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.