CID 131823287

Pg(i-12:0/18:2(9z,11z))

Structural Information

Molecular Formula
C36H67O10P
SMILES
CCCCCC/C=C\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C36H67O10P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-27-36(40)46-34(31-45-47(41,42)44-29-33(38)28-37)30-43-35(39)26-23-20-18-17-19-22-25-32(2)3/h9-12,32-34,37-38H,4-8,13-31H2,1-3H3,(H,41,42)/b10-9-,12-11-/t33-,34+/m0/s1
InChIKey
JDPXOFGDHXVNAK-VHUPYEGGSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] (9Z,11Z)-octadeca-9,11-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

690.4472 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 691.45448 265.7
[M+Na]+ 713.43642 266.5
[M+NH4]+ 708.48102 271.6
[M+K]+ 729.41036 267.4
[M-H]- 689.43992 259.2
[M+Na-2H]- 711.42187 266.6
[M]+ 690.44665 264.8
[M]- 690.44775 264.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.