CID 52928933

Pa(18:2(9z,12z)/14:0)

Structural Information

Molecular Formula
C35H65O8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)O
InChI
InChI=1S/C35H65O8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-19-14-12-10-8-6-4-2/h11,13,16-17,33H,3-10,12,14-15,18-32H2,1-2H3,(H2,38,39,40)/b13-11-,17-16-/t33-/m1/s1
InChIKey
FOJQIERYVYLJMZ-PNMFJBQASA-N
Compound name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

644.4417 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.44898 258.4
[M+Na]+ 667.43092 259.9
[M+NH4]+ 662.47552 262.3
[M+K]+ 683.40486 259.8
[M-H]- 643.43442 248.6
[M+Na-2H]- 665.41637 258.9
[M]+ 644.44115 256.5
[M]- 644.44225 256.5
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.