CID 52927342

Pg(p-16:0/13:0)

Structural Information

Molecular Formula
C35H69O9P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C35H69O9P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-41-31-34(32-43-45(39,40)42-30-33(37)29-36)44-35(38)27-25-23-21-19-14-12-10-8-6-4-2/h26,28,33-34,36-37H,3-25,27,29-32H2,1-2H3,(H,39,40)/b28-26-/t33-,34+/m0/s1
InChIKey
ZRWUZLVSNTVIHD-BNNUBUKUSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.4679 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.47518 263.7
[M+Na]+ 687.45712 263.2
[M-H]- 663.46062 253.5
[M+NH4]+ 682.50172 265.9
[M+K]+ 703.43106 264.5
[M+H-H2O]+ 647.46516 253.2
[M+HCOO]- 709.46610 263.9
[M+CH3COO]- 723.48175 267.4
[M+Na-2H]- 685.44257 242.4
[M]+ 664.46735 261.1
[M]- 664.46845 261.1
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.