CID 131822287

Pa(20:0/a-17:0)

Structural Information

Molecular Formula
C40H79O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C40H79O8P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-33-39(41)46-35-38(36-47-49(43,44)45)48-40(42)34-31-28-25-22-19-18-20-23-26-29-32-37(3)5-2/h37-38H,4-36H2,1-3H3,(H2,43,44,45)/t37?,38-/m1/s1
InChIKey
MMQRJQGNDMPFMV-YWIOZPJLSA-N
Compound name
[(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

718.5513 Da
Monoisotopic Mass

15.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.55858 277.6
[M+Na]+ 741.54052 278.3
[M-H]- 717.54402 266.9
[M+NH4]+ 736.58512 282.9
[M+K]+ 757.51446 282.3
[M+H-H2O]+ 701.54856 268.3
[M+HCOO]- 763.54950 275.2
[M+CH3COO]- 777.56515 281.9
[M+Na-2H]- 739.52597 256.1
[M]+ 718.55075 276.5
[M]- 718.55185 276.5
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.