CID 52926334

Pg(13:0/14:0)

Structural Information

Molecular Formula
C33H65O10P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C33H65O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)43-31(29-42-44(38,39)41-27-30(35)26-34)28-40-32(36)24-22-20-18-16-14-12-10-8-6-4-2/h30-31,34-35H,3-29H2,1-2H3,(H,38,39)/t30-,31+/m0/s1
InChIKey
AAABYGXUNQSIIU-IOWSJCHKSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-tridecanoyloxypropan-2-yl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.4315 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.43878 260.9
[M+Na]+ 675.42072 260.8
[M-H]- 651.42422 253.6
[M+NH4]+ 670.46532 265.5
[M+K]+ 691.39466 261.7
[M+H-H2O]+ 635.42876 251.3
[M+HCOO]- 697.42970 259.4
[M+CH3COO]- 711.44535 264.4
[M+Na-2H]- 673.40617 240.6
[M]+ 652.43095 259.2
[M]- 652.43205 259.2
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.