CID 53480991

Mg(22:2(13z,16z)/0:0/0:0)

Structural Information

Molecular Formula
C25H46O4
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26/h6-7,9-10,24,26-27H,2-5,8,11-23H2,1H3/b7-6-,10-9-/t24-/m0/s1
InChIKey
UCYPOAPUDLUXQX-VXOKBQSKSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

410.3396 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.34688 213.7
[M+Na]+ 433.32882 212.6
[M-H]- 409.33232 207.7
[M+NH4]+ 428.37342 210.5
[M+K]+ 449.30276 206.9
[M+H-H2O]+ 393.33686 206.0
[M+HCOO]- 455.33780 220.1
[M+CH3COO]- 469.35345 223.6
[M+Na-2H]- 431.31427 207.4
[M]+ 410.33905 220.5
[M]- 410.34015 220.5
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.