CID 5282951

14-hydroxy-cis-11-eicosenoic acid

Structural Information

Molecular Formula
C20H38O3
SMILES
CCCCCCC(C/C=C\CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h11,14,19,21H,2-10,12-13,15-18H2,1H3,(H,22,23)/b14-11-
InChIKey
OONXYOAWMIVMCI-KAMYIIQDSA-N
Compound name
(Z)-14-hydroxyicos-11-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

954
Patents

326.2821 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.28938 190.7
[M+Na]+ 349.27132 191.3
[M-H]- 325.27482 185.6
[M+NH4]+ 344.31592 203.3
[M+K]+ 365.24526 186.8
[M+H-H2O]+ 309.27936 183.9
[M+HCOO]- 371.28030 205.9
[M+CH3COO]- 385.29595 209.0
[M+Na-2H]- 347.25677 186.7
[M]+ 326.28155 194.9
[M]- 326.28265 194.9
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.