CID 131822171

Pa(24:0/18:0)

Structural Information

Molecular Formula
C45H89O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C45H89O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(46)51-41-43(42-52-54(48,49)50)53-45(47)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2/h43H,3-42H2,1-2H3,(H2,48,49,50)/t43-/m1/s1
InChIKey
ALWJXYHPNHOOFI-VZUYHUTRSA-N
Compound name
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

788.6295 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 789.63678 294.3
[M+Na]+ 811.61872 293.6
[M-H]- 787.62222 280.1
[M+NH4]+ 806.66332 297.9
[M+K]+ 827.59266 299.2
[M+H-H2O]+ 771.62676 283.9
[M+HCOO]- 833.62770 292.4
[M+CH3COO]- 847.64335 294.4
[M+Na-2H]- 809.60417 270.2
[M]+ 788.62895 293.3
[M]- 788.63005 293.3
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.