CID 131841380

Pg(14:0/16:0(9cp))

Structural Information

Molecular Formula
C37H71O10P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC
InChI
InChI=1S/C37H71O10P/c1-3-5-7-9-10-11-12-13-14-17-21-25-36(40)44-30-35(31-46-48(42,43)45-29-34(39)28-38)47-37(41)26-22-18-15-16-20-24-33-27-32(33)23-19-8-6-4-2/h32-35,38-39H,3-31H2,1-2H3,(H,42,43)/t32-,33+,34-,35+/m0/s1
InChIKey
GNWIBIDKLVNWES-OQIMXIDESA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[8-[(1R,2S)-2-hexylcyclopropyl]octanoyloxy]propyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

706.4785 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 707.48578 271.5
[M+Na]+ 729.46772 272.4
[M-H]- 705.47122 262.5
[M+NH4]+ 724.51232 276.3
[M+K]+ 745.44166 273.5
[M+H-H2O]+ 689.47576 262.9
[M+HCOO]- 751.47670 271.9
[M+CH3COO]- 765.49235 274.3
[M+Na-2H]- 727.45317 251.8
[M]+ 706.47795 276.2
[M]- 706.47905 276.2
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.