CID 52929506

Pa(15:0/18:0)

Structural Information

Molecular Formula
C36H71O8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C36H71O8P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-36(38)44-34(33-43-45(39,40)41)32-42-35(37)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h34H,3-33H2,1-2H3,(H2,39,40,41)/t34-/m1/s1
InChIKey
ZNXGHPXZYWJVCG-UUWRZZSWSA-N
Compound name
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

662.48865 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.49593 266.2
[M+Na]+ 685.47787 266.7
[M+NH4]+ 680.52247 270.2
[M+K]+ 701.45181 267.0
[M-H]- 661.48137 254.5
[M+Na-2H]- 683.46332 265.5
[M]+ 662.48810 263.6
[M]- 662.48920 263.6
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.