CID 171120977

Pg(14:0(12me)/14:0(13me))

Structural Information

Molecular Formula
C36H71O10P
SMILES
CCC(C)CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C36H71O10P/c1-5-32(4)24-20-16-12-9-10-13-17-21-25-35(39)43-29-34(30-45-47(41,42)44-28-33(38)27-37)46-36(40)26-22-18-14-8-6-7-11-15-19-23-31(2)3/h31-34,37-38H,5-30H2,1-4H3,(H,41,42)/t32?,33-,34+/m0/s1
InChIKey
RYBHIWDNNCHFFC-PRIWKQAOSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(13-methyltetradecanoyloxy)propyl] 12-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

694.4785 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 695.48578 270.1
[M+Na]+ 717.46772 270.4
[M-H]- 693.47122 264.6
[M+NH4]+ 712.51232 277.8
[M+K]+ 733.44166 273.7
[M+H-H2O]+ 677.47576 261.4
[M+HCOO]- 739.47670 262.6
[M+CH3COO]- 753.49235 273.8
[M+Na-2H]- 715.45317 249.9
[M]+ 694.47795 269.3
[M]- 694.47905 269.3
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.