CID 134812476

Oon-pg

Structural Information

Molecular Formula
C33H61O11P
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C33H61O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32(37)41-28-31(29-43-45(39,40)42-27-30(36)26-35)44-33(38)24-21-18-15-16-19-22-25-34/h9-10,25,30-31,35-36H,2-8,11-24,26-29H2,1H3,(H,39,40)/b10-9-/t30-,31+/m0/s1
InChIKey
ODIDLOHVXQFDGW-DGEKRMNSSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(9-oxononanoyloxy)propyl] (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.39514 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.40242 260.9
[M+Na]+ 687.38436 261.4
[M-H]- 663.38786 255.8
[M+NH4]+ 682.42896 266.9
[M+K]+ 703.35830 261.3
[M+H-H2O]+ 647.39240 251.6
[M+HCOO]- 709.39334 260.9
[M+CH3COO]- 723.40899 264.4
[M+Na-2H]- 685.36981 241.1
[M]+ 664.39459 259.5
[M]- 664.39569 259.5
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.