CID 52928741

Pa(15:0/20:0)

Structural Information

Molecular Formula
C38H75O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C38H75O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(40)46-36(35-45-47(41,42)43)34-44-37(39)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H2,41,42,43)/t36-/m1/s1
InChIKey
RLTVMKPFQGJWBS-PSXMRANNSA-N
Compound name
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

690.51996 Da
Monoisotopic Mass

14.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.52724 272.8
[M+Na]+ 713.50918 273.2
[M+NH4]+ 708.55378 276.8
[M+K]+ 729.48312 273.8
[M-H]- 689.51268 260.5
[M+Na-2H]- 711.49463 271.5
[M]+ 690.51941 270.2
[M]- 690.52051 270.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.