CID 52927452

Pg(21:0/0:0)

Structural Information

Molecular Formula
C27H55O9P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C27H55O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(31)34-22-26(30)24-36-37(32,33)35-23-25(29)21-28/h25-26,28-30H,2-24H2,1H3,(H,32,33)/t25-,26+/m0/s1
InChIKey
XEIBLFIFGABXTL-IZZNHLLZSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

554.3584 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.36568 236.8
[M+Na]+ 577.34762 236.1
[M-H]- 553.35112 228.4
[M+NH4]+ 572.39222 236.5
[M+K]+ 593.32156 234.6
[M+H-H2O]+ 537.35566 226.0
[M+HCOO]- 599.35660 237.7
[M+CH3COO]- 613.37225 244.5
[M+Na-2H]- 575.33307 217.7
[M]+ 554.35785 232.8
[M]- 554.35895 232.8
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