CID 52929498

Pa(16:0/18:0)

Structural Information

Molecular Formula
C37H73O8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C37H73O8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(39)45-35(34-44-46(40,41)42)33-43-36(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1
InChIKey
GASPGIDKILJBMM-PGUFJCEWSA-N
Compound name
[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

676.50433 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 677.51161 269.5
[M+Na]+ 699.49355 270.0
[M+NH4]+ 694.53815 273.5
[M+K]+ 715.46749 270.4
[M-H]- 675.49705 257.5
[M+Na-2H]- 697.47900 268.5
[M]+ 676.50378 266.9
[M]- 676.50488 266.9
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

patents stripe