CID 132555863

(9z,12z)-1-(2,4,6-trihydroxyphenyl)octadeca-9,12-dien-1-one

Structural Information

Molecular Formula
C24H36O4
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)C1=C(C=C(C=C1O)O)O
InChI
InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)24-22(27)18-20(25)19-23(24)28/h6-7,9-10,18-19,25,27-28H,2-5,8,11-17H2,1H3/b7-6-,10-9-
InChIKey
UCOBYSXJAQLYQH-HZJYTTRNSA-N
Compound name
(9Z,12Z)-1-(2,4,6-trihydroxyphenyl)octadeca-9,12-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.26135 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.26863 200.7
[M+Na]+ 411.25057 203.6
[M-H]- 387.25407 198.4
[M+NH4]+ 406.29517 210.6
[M+K]+ 427.22451 196.5
[M+H-H2O]+ 371.25861 193.2
[M+HCOO]- 433.25955 216.1
[M+CH3COO]- 447.27520 217.6
[M+Na-2H]- 409.23602 196.3
[M]+ 388.26080 204.4
[M]- 388.26190 204.4
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.