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

893
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

literature stripe

Patent stripe

patents stripe