CID 6421258

Methyl arachidonate

Structural Information

Molecular Formula
C21H34O2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC
InChI
InChI=1S/C21H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3/b8-7-,11-10-,14-13-,17-16-
InChIKey
OFIDNKMQBYGNIW-ZKWNWVNESA-N
Compound name
methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

821
Patents

318.2559 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.26318 187.0
[M+Na]+ 341.24512 194.6
[M+NH4]+ 336.28972 191.3
[M+K]+ 357.21906 185.4
[M-H]- 317.24862 184.6
[M+Na-2H]- 339.23057 186.4
[M]+ 318.25535 186.9
[M]- 318.25645 186.9
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