CID 5283022

8-methoxy-13-hydroxy-9,11-octadecadienoic acid

Structural Information

Molecular Formula
C19H34O4
SMILES
CCCCCC(/C=C/C=C/C(CCCCCCC(=O)O)OC)O
InChI
InChI=1S/C19H34O4/c1-3-4-7-12-17(20)13-10-11-15-18(23-2)14-8-5-6-9-16-19(21)22/h10-11,13,15,17-18,20H,3-9,12,14,16H2,1-2H3,(H,21,22)/b13-10+,15-11+
InChIKey
FPDXRJMUHIDIMS-FVIOEUFFSA-N
Compound name
(9E,11E)-13-hydroxy-8-methoxyoctadeca-9,11-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

326.2457 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25298 187.9
[M+Na]+ 349.23492 189.1
[M-H]- 325.23842 183.1
[M+NH4]+ 344.27952 200.4
[M+K]+ 365.20886 185.3
[M+H-H2O]+ 309.24296 181.3
[M+HCOO]- 371.24390 202.9
[M+CH3COO]- 385.25955 207.4
[M+Na-2H]- 347.22037 183.3
[M]+ 326.24515 191.8
[M]- 326.24625 191.8
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

patents stripe