CID 131822315

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

Structural Information

Molecular Formula
C44H87O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C44H87O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-34-37-43(45)50-39-42(40-51-53(47,48)49)52-44(46)38-35-32-29-26-23-20-17-16-18-21-24-27-30-33-36-41(2)3/h41-42H,4-40H2,1-3H3,(H2,47,48,49)/t42-/m1/s1
InChIKey
GGTKEPMCKFUHQG-HUESYALOSA-N
Compound name
[(2R)-2-(18-methylnonadecanoyloxy)-3-phosphonooxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

774.61383 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.62111 292.9
[M+Na]+ 797.60305 292.7
[M+NH4]+ 792.64765 297.5
[M+K]+ 813.57699 294.5
[M-H]- 773.60655 279.8
[M+Na-2H]- 795.58850 290.0
[M]+ 774.61328 290.2
[M]- 774.61438 290.2
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.