CID 134812367

Oov-pe

Structural Information

Molecular Formula
C28H52NO9P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC=O
InChI
InChI=1S/C28H52NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(31)35-24-26(38-28(32)20-17-18-22-30)25-37-39(33,34)36-23-21-29/h9-10,22,26H,2-8,11-21,23-25,29H2,1H3,(H,33,34)/b10-9-/t26-/m1/s1
InChIKey
IVBGFILLQAZJOY-RASRKNKNSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(5-oxopentanoyloxy)propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.33795 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.34523 239.7
[M+Na]+ 600.32717 244.6
[M-H]- 576.33067 236.4
[M+NH4]+ 595.37177 245.4
[M+K]+ 616.30111 240.7
[M+H-H2O]+ 560.33521 231.1
[M+HCOO]- 622.33615 245.0
[M+CH3COO]- 636.35180 255.3
[M+Na-2H]- 598.31262 223.4
[M]+ 577.33740 235.9
[M]- 577.33850 235.9
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.