CID 52929644

Pa(o-16:0/18:0)

Structural Information

Molecular Formula
C37H75O7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C37H75O7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-37(38)44-36(35-43-45(39,40)41)34-42-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h36H,3-35H2,1-2H3,(H2,39,40,41)/t36-/m1/s1
InChIKey
BIMPCBJDAYKNLD-PSXMRANNSA-N
Compound name
[(2R)-1-hexadecoxy-3-phosphonooxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

662.525 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.53228 268.3
[M+Na]+ 685.51422 268.7
[M+NH4]+ 680.55882 271.0
[M+K]+ 701.48816 268.8
[M-H]- 661.51772 253.9
[M+Na-2H]- 683.49967 266.6
[M]+ 662.52445 264.9
[M]- 662.52555 264.9
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.