CID 131839815

9-oxo-11z-octadecenoic acid

Structural Information

Molecular Formula
C18H32O3
SMILES
CCCCCC/C=C\CC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h8,11H,2-7,9-10,12-16H2,1H3,(H,20,21)/b11-8-
InChIKey
XLGYOGUDSFUNBU-FLIBITNWSA-N
Compound name
(Z)-9-oxooctadec-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.23514 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.24242 179.6
[M+Na]+ 319.22436 181.9
[M-H]- 295.22786 176.4
[M+NH4]+ 314.26896 194.2
[M+K]+ 335.19830 178.1
[M+H-H2O]+ 279.23240 173.2
[M+HCOO]- 341.23334 197.3
[M+CH3COO]- 355.24899 204.8
[M+Na-2H]- 317.20981 177.4
[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

literature stripe

Patent stripe

No patent data available for this compound.