CID 52927250

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

Structural Information

Molecular Formula
C35H71O9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C35H71O9P/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/h33-34,36-37H,3-32H2,1-2H3,(H,39,40)/t33-,34+/m0/s1
InChIKey
YMVYHWYNADAKFB-SZAHLOSFSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.4836 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.49088 266.0
[M+Na]+ 689.47282 264.9
[M-H]- 665.47632 255.0
[M+NH4]+ 684.51742 267.9
[M+K]+ 705.44676 266.7
[M+H-H2O]+ 649.48086 255.5
[M+HCOO]- 711.48180 265.4
[M+CH3COO]- 725.49745 268.6
[M+Na-2H]- 687.45827 244.2
[M]+ 666.48305 263.7
[M]- 666.48415 263.7
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.