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
3
Annotation Hits

2
References

765
Patents

318.2559 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.263176 186.3
[M+Na]+ 341.245118 189.0
[M-H]- 317.248624 184.2
[M+NH4]+ 336.289723 201.0
[M+K]+ 357.219058 183.2
[M+H-H2O]+ 301.253160 179.5
[M+HCOO]- 363.254101 205.8
[M+CH3COO]- 377.269751 209.4
[M+Na-2H]- 339.230566 184.4
[M]+ 318.25535142 191.7
[M]- 318.25644858 191.7
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