CID 52926427

Pg(15:1(9z)/13:0)

Structural Information

Molecular Formula
C34H65O10P
SMILES
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C34H65O10P/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-33(37)41-29-32(30-43-45(39,40)42-28-31(36)27-35)44-34(38)26-24-22-20-17-14-12-10-8-6-4-2/h11,13,31-32,35-36H,3-10,12,14-30H2,1-2H3,(H,39,40)/b13-11-/t31-,32+/m0/s1
InChIKey
RJOFHSGFOSJBBO-DQUJQRFXSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-tridecanoyloxypropyl] (Z)-pentadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.4315 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.43878 262.1
[M+Na]+ 687.42072 262.4
[M-H]- 663.42422 255.2
[M+NH4]+ 682.46532 267.0
[M+K]+ 703.39466 263.2
[M+H-H2O]+ 647.42876 252.5
[M+HCOO]- 709.42970 261.0
[M+CH3COO]- 723.44535 265.9
[M+Na-2H]- 685.40617 241.9
[M]+ 664.43095 260.2
[M]- 664.43205 260.2
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.