CID 131822386

Pa(a-21:0/a-17:0)

Structural Information

Molecular Formula
C41H81O8P
SMILES
CCC(C)CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C41H81O8P/c1-5-37(3)31-27-23-19-15-11-9-7-8-10-12-17-21-25-29-33-40(42)47-35-39(36-48-50(44,45)46)49-41(43)34-30-26-22-18-14-13-16-20-24-28-32-38(4)6-2/h37-39H,5-36H2,1-4H3,(H2,44,45,46)/t37?,38?,39-/m1/s1
InChIKey
WIWVMBXOQJLNDJ-DFCGPKRUSA-N
Compound name
[(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] 18-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

732.5669 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.57418 283.5
[M+Na]+ 755.55612 283.5
[M+NH4]+ 750.60072 289.0
[M+K]+ 771.53006 284.8
[M-H]- 731.55962 272.6
[M+Na-2H]- 753.54157 281.9
[M]+ 732.56635 281.4
[M]- 732.56745 281.4
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.