CID 52927397

Pg(p-20:0/13:0)

Structural Information

Molecular Formula
C39H77O9P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C39H77O9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-45-35-38(36-47-49(43,44)46-34-37(41)33-40)48-39(42)31-29-27-25-23-14-12-10-8-6-4-2/h30,32,37-38,40-41H,3-29,31,33-36H2,1-2H3,(H,43,44)/b32-30-/t37-,38+/m0/s1
InChIKey
YBPKBVKAKKGUAR-NUVXSZCSSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

720.5305 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 721.53778 277.0
[M+Na]+ 743.51972 275.8
[M-H]- 719.52322 265.2
[M+NH4]+ 738.56432 279.1
[M+K]+ 759.49366 278.8
[M+H-H2O]+ 703.52776 266.1
[M+HCOO]- 765.52870 275.6
[M+CH3COO]- 779.54435 278.1
[M+Na-2H]- 741.50517 254.0
[M]+ 720.52995 274.7
[M]- 720.53105 274.7
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.