CID 52929700

Pa(p-18:0/19:1(9z))

Structural Information

Molecular Formula
C40H77O7P
SMILES
CCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C40H77O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(41)47-39(38-46-48(42,43)44)37-45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h19,21,34,36,39H,3-18,20,22-33,35,37-38H2,1-2H3,(H2,42,43,44)/b21-19-,36-34-/t39-/m1/s1
InChIKey
GAGMWZBRMPWUOF-SXZNIGQSSA-N
Compound name
[(2R)-1-[(Z)-octadec-1-enoxy]-3-phosphonooxypropan-2-yl] (Z)-nonadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

700.5407 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 701.54798 272.5
[M+Na]+ 723.52992 273.4
[M-H]- 699.53342 258.9
[M+NH4]+ 718.57452 274.2
[M+K]+ 739.50386 276.0
[M+H-H2O]+ 683.53796 262.0
[M+HCOO]- 745.53890 275.9
[M+CH3COO]- 759.55455 277.8
[M+Na-2H]- 721.51537 250.7
[M]+ 700.54015 270.0
[M]- 700.54125 270.0
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.