CID 52928935

Pa(18:2(9z,12z)/15:0)

Structural Information

Molecular Formula
C36H67O8P
SMILES
CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChI
InChI=1S/C36H67O8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-35(37)42-32-34(33-43-45(39,40)41)44-36(38)31-29-27-25-23-20-16-14-12-10-8-6-4-2/h11,13,17-18,34H,3-10,12,14-16,19-33H2,1-2H3,(H2,39,40,41)/b13-11-,18-17-/t34-/m1/s1
InChIKey
FZAYDNUFXQMOCM-SSTSLOEUSA-N
Compound name
[(2R)-2-pentadecanoyloxy-3-phosphonooxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

658.45734 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.46462 261.8
[M+Na]+ 681.44656 263.3
[M+NH4]+ 676.49116 265.7
[M+K]+ 697.42050 263.3
[M-H]- 657.45006 251.6
[M+Na-2H]- 679.43201 262.0
[M]+ 658.45679 259.8
[M]- 658.45789 259.8
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.