CID 9929676

Persenone a

Structural Information

Molecular Formula
C23H38O4
SMILES
CCCCC/C=C\C/C=C\CCCCC/C=C/C(=O)CC(COC(=O)C)O
InChI
InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h7-8,10-11,17-18,23,26H,3-6,9,12-16,19-20H2,1-2H3/b8-7-,11-10-,18-17+
InChIKey
YLWJMUPPJKELEC-GQQAEKEGSA-N
Compound name
[(5E,12Z,15Z)-2-hydroxy-4-oxohenicosa-5,12,15-trienyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

67
Patents

378.277 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28428 200.9
[M+Na]+ 401.26622 205.8
[M+NH4]+ 396.31082 204.4
[M+K]+ 417.24016 204.1
[M-H]- 377.26972 195.2
[M+Na-2H]- 399.25167 197.5
[M]+ 378.27645 199.5
[M]- 378.27755 199.5
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