CID 5282704

11s-hydroxy-12e,14z-eicosadienoic acid

Structural Information

Molecular Formula
C20H36O3
SMILES
CCCCC/C=C\C=C\[C@H](CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C20H36O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h7,10,13,16,19,21H,2-6,8-9,11-12,14-15,17-18H2,1H3,(H,22,23)/b10-7-,16-13+/t19-/m1/s1
InChIKey
HDMIRVFIVOGVIC-HVLYWLSYSA-N
Compound name
(11S,12E,14Z)-11-hydroxyicosa-12,14-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

324.26645 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.27373 189.2
[M+Na]+ 347.25567 190.3
[M-H]- 323.25917 184.2
[M+NH4]+ 342.30027 202.0
[M+K]+ 363.22961 185.1
[M+H-H2O]+ 307.26371 182.6
[M+HCOO]- 369.26465 204.7
[M+CH3COO]- 383.28030 207.6
[M+Na-2H]- 345.24112 185.4
[M]+ 324.26590 192.7
[M]- 324.26700 192.7
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