CID 53480985

Mg(20:3(5z,8z,11z)/0:0/0:0)

Structural Information

Molecular Formula
C23H40O4
SMILES
CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=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/h9-10,12-13,15-16,22,24-25H,2-8,11,14,17-21H2,1H3/b10-9-,13-12-,16-15-/t22-/m0/s1
InChIKey
NXOGCYSVLAIYAP-UXNAVHBBSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.29266 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.299936 203.7
[M+Na]+ 403.281878 203.8
[M-H]- 379.285384 198.2
[M+NH4]+ 398.326483 201.3
[M+K]+ 419.255818 197.9
[M+H-H2O]+ 363.289920 196.4
[M+HCOO]- 425.290861 212.2
[M+CH3COO]- 439.306511 216.3
[M+Na-2H]- 401.267326 198.4
[M]+ 380.29211142 208.9
[M]- 380.29320858 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

No patent data available for this compound.