CID 131821851

Lpa 22:2

Structural Information

Molecular Formula
C25H47O7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
InChI
InChI=1S/C25H47O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h6-7,9-10,24,26H,2-5,8,11-23H2,1H3,(H2,28,29,30)/b7-6-,10-9-
InChIKey
GFXKNONHFFXXOL-HZJYTTRNSA-N
Compound name
(2-hydroxy-3-phosphonooxypropyl) (13Z,16Z)-docosa-13,16-dienoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

490.30594 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.31322 219.2
[M+Na]+ 513.29516 221.8
[M-H]- 489.29866 211.1
[M+NH4]+ 508.33976 219.1
[M+K]+ 529.26910 218.2
[M+H-H2O]+ 473.30320 209.3
[M+HCOO]- 535.30414 227.0
[M+CH3COO]- 549.31979 233.6
[M+Na-2H]- 511.28061 203.3
[M]+ 490.30539 215.3
[M]- 490.30649 215.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.