CID 9547125

Pg(8:0/8:0)

Structural Information

Molecular Formula
C22H43O10P
SMILES
CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC
InChI
InChI=1S/C22H43O10P/c1-3-5-7-9-11-13-21(25)29-17-20(32-22(26)14-12-10-8-6-4-2)18-31-33(27,28)30-16-19(24)15-23/h19-20,23-24H,3-18H2,1-2H3,(H,27,28)/t19-,20+/m0/s1
InChIKey
BQEXNLVNNRZNEI-VQTJNVASSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

498.2594 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.26668 222.2
[M+Na]+ 521.24862 224.0
[M-H]- 497.25212 219.1
[M+NH4]+ 516.29322 227.0
[M+K]+ 537.22256 220.4
[M+H-H2O]+ 481.25666 213.9
[M+HCOO]- 543.25760 225.2
[M+CH3COO]- 557.27325 234.0
[M+Na-2H]- 519.23407 206.7
[M]+ 498.25885 220.0
[M]- 498.25995 220.0
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

patents stripe