CID 52927396

Pg(p-20:0/12:0)

Structural Information

Molecular Formula
C38H75O9P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C38H75O9P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-23-25-27-29-31-44-34-37(35-46-48(42,43)45-33-36(40)32-39)47-38(41)30-28-26-24-22-12-10-8-6-4-2/h29,31,36-37,39-40H,3-28,30,32-35H2,1-2H3,(H,42,43)/b31-29-/t36-,37+/m0/s1
InChIKey
NQIHYZKUOJARMD-HEEHXVFUSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

706.5149 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.52218 273.7
[M+Na]+ 729.50412 272.7
[M-H]- 705.50762 262.3
[M+NH4]+ 724.54872 275.8
[M+K]+ 745.47806 275.2
[M+H-H2O]+ 689.51216 262.9
[M+HCOO]- 751.51310 272.7
[M+CH3COO]- 765.52875 275.5
[M+Na-2H]- 727.48957 251.1
[M]+ 706.51435 271.4
[M]- 706.51545 271.4
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.