CID 131823277

Pg(a-13:0/i-14:0)

Structural Information

Molecular Formula
C33H65O10P
SMILES
CCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCC(C)C
InChI
InChI=1S/C33H65O10P/c1-5-29(4)21-17-13-10-11-14-18-22-32(36)40-26-31(27-42-44(38,39)41-25-30(35)24-34)43-33(37)23-19-15-9-7-6-8-12-16-20-28(2)3/h28-31,34-35H,5-27H2,1-4H3,(H,38,39)/t29?,30-,31+/m0/s1
InChIKey
UFZLKZJZZWXCKM-CJZYSFCQSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

652.4315 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.43878 260.3
[M+Na]+ 675.42072 260.4
[M+NH4]+ 670.46532 267.2
[M+K]+ 691.39466 261.1
[M-H]- 651.42422 254.5
[M+Na-2H]- 673.40617 261.6
[M]+ 652.43095 259.5
[M]- 652.43205 259.5
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.