CID 131821888

Pa(16:0/24:0)

Structural Information

Molecular Formula
C43H85O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C43H85O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h41H,3-40H2,1-2H3,(H2,46,47,48)/t41-/m1/s1
InChIKey
LYHCKRBHTDSZFG-VQJSHJPSSA-N
Compound name
[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

760.5982 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.60548 289.2
[M+Na]+ 783.58742 289.1
[M+NH4]+ 778.63202 293.0
[M+K]+ 799.56136 290.7
[M-H]- 759.59092 275.2
[M+Na-2H]- 781.57287 286.3
[M]+ 760.59765 286.2
[M]- 760.59875 286.2
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.