CID 10427028

Methyl (5z,8z,11z,14z)-20-hydroxyicosa-5,8,11,14-tetraenoate

Structural Information

Molecular Formula
C21H34O3
SMILES
COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
InChI
InChI=1S/C21H34O3/c1-24-21(23)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22/h2,4-5,7-8,10-11,13,22H,3,6,9,12,14-20H2,1H3/b4-2-,7-5-,10-8-,13-11-
InChIKey
OZKZRNXTERFDEC-WGBGRZMPSA-N
Compound name
methyl (5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

334.2508 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.25808 190.3
[M+Na]+ 357.24002 196.8
[M+NH4]+ 352.28462 193.6
[M+K]+ 373.21396 188.5
[M-H]- 333.24352 186.7
[M+Na-2H]- 355.22547 188.6
[M]+ 334.25025 189.6
[M]- 334.25135 189.6
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