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 189.7
[M+Na]+ 357.24002 191.9
[M-H]- 333.24352 186.1
[M+NH4]+ 352.28462 202.9
[M+K]+ 373.21396 185.7
[M+H-H2O]+ 317.24806 182.9
[M+HCOO]- 379.24900 207.9
[M+CH3COO]- 393.26465 208.7
[M+Na-2H]- 355.22547 187.3
[M]+ 334.25025 194.6
[M]- 334.25135 194.6
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.