CID 53480986

Mg(20:3(8z,11z,14z)/0:0/0:0)

Structural Information

Molecular Formula
C23H40O4
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-21-22(25)20-24/h6-7,9-10,12-13,22,24-25H,2-5,8,11,14-21H2,1H3/b7-6-,10-9-,13-12-/t22-/m0/s1
InChIKey
LERKRWCYZNDWFH-YYRPCZOWSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3
Patents

380.29266 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.29994 203.7
[M+Na]+ 403.28188 203.8
[M-H]- 379.28538 198.2
[M+NH4]+ 398.32648 201.3
[M+K]+ 419.25582 197.9
[M+H-H2O]+ 363.28992 196.4
[M+HCOO]- 425.29086 212.2
[M+CH3COO]- 439.30651 216.3
[M+Na-2H]- 401.26733 198.4
[M]+ 380.29211 208.9
[M]- 380.29321 208.9
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