CID 71751402

(6e,8z)-5-oxooctadeca-6,8-dienoic acid

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
2
Annotation Hits

10
References

382
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 178.1
[M+Na]+ 317.20870 180.7
[M-H]- 293.21220 175.0
[M+NH4]+ 312.25330 192.7
[M+K]+ 333.18264 176.4
[M+H-H2O]+ 277.21674 171.7
[M+HCOO]- 339.21768 196.0
[M+CH3COO]- 353.23333 203.3
[M+Na-2H]- 315.19415 175.9
[M]+ 294.21893 182.1
[M]- 294.22003 182.1
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