CID 71751402

5-keto-ode(1-)

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCCCCC/C=C\C=C\C(=O)CCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10-,14-12+
InChIKey
YVWMHFYOIJMUMN-HSINTONASA-N
Compound name
(6E,8Z)-5-oxooctadeca-6,8-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

73
Patents

294.21948 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.22676 177.8
[M+Na]+ 317.20870 184.5
[M+NH4]+ 312.25330 181.7
[M+K]+ 333.18264 177.8
[M-H]- 293.21220 174.4
[M+Na-2H]- 315.19415 176.6
[M]+ 294.21893 177.2
[M]- 294.22003 177.2
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

patents stripe