CID 11204814

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

Structural Information

Molecular Formula
C38H77O9P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C38H77O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44-34-37(35-46-48(42,43)45-33-36(40)32-39)47-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,39-40H,3-35H2,1-2H3,(H,42,43)/t36-,37+/m0/s1
InChIKey
KSXKYVNUZUBFOB-PQQNNWGCSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

708.5305 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 709.53778 276.1
[M+Na]+ 731.51972 274.4
[M-H]- 707.52322 263.9
[M+NH4]+ 726.56432 277.9
[M+K]+ 747.49366 277.5
[M+H-H2O]+ 691.52776 265.2
[M+HCOO]- 753.52870 274.2
[M+CH3COO]- 767.54435 276.7
[M+Na-2H]- 729.50517 253.0
[M]+ 708.52995 273.9
[M]- 708.53105 273.9
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.