CID 53480980

Mg(18:4(6z,9z,12z,15z)/0:0/0:0)

Structural Information

Molecular Formula
C21H34O4
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C21H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,12-13,20,22-23H,2,5,8,11,14-19H2,1H3/b4-3-,7-6-,10-9-,13-12-/t20-/m0/s1
InChIKey
YICVZGXPPMTJCG-LIYQNMAISA-N
Compound name
[(2S)-2,3-dihydroxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

350.2457 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.25298 193.5
[M+Na]+ 373.23492 194.9
[M-H]- 349.23842 188.5
[M+NH4]+ 368.27952 205.2
[M+K]+ 389.20886 188.9
[M+H-H2O]+ 333.24296 186.7
[M+HCOO]- 395.24390 209.3
[M+CH3COO]- 409.25955 209.0
[M+Na-2H]- 371.22037 189.3
[M]+ 350.24515 197.2
[M]- 350.24625 197.2
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.