CID 131822502

Pa(i-20:0/a-21:0)

Structural Information

Molecular Formula
C44H87O8P
SMILES
CCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C44H87O8P/c1-5-41(4)35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-44(46)52-42(39-51-53(47,48)49)38-50-43(45)36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-40(2)3/h40-42H,5-39H2,1-4H3,(H2,47,48,49)/t41?,42-/m1/s1
InChIKey
LUPXIYBGFQQAIG-FBUHDGFBSA-N
Compound name
[(2R)-1-(18-methylnonadecanoyloxy)-3-phosphonooxypropan-2-yl] 18-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

774.61383 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.62111 293.4
[M+Na]+ 797.60305 293.1
[M+NH4]+ 792.64765 298.7
[M+K]+ 813.57699 295.0
[M-H]- 773.60655 281.4
[M+Na-2H]- 795.58850 290.8
[M]+ 774.61328 291.0
[M]- 774.61438 291.0
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.