CID 52929737

Pa(p-20:0/22:0)

Structural Information

Molecular Formula
C45H89O7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C45H89O7P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-45(46)52-44(43-51-53(47,48)49)42-50-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h39,41,44H,3-38,40,42-43H2,1-2H3,(H2,47,48,49)/b41-39-/t44-/m1/s1
InChIKey
RAHZTCSZRUPQGI-VAGBQZCZSA-N
Compound name
[(2R)-1-[(Z)-icos-1-enoxy]-3-phosphonooxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

772.6346 Da
Monoisotopic Mass

18.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.64188 290.9
[M+Na]+ 795.62382 290.3
[M-H]- 771.62732 274.5
[M+NH4]+ 790.66842 292.2
[M+K]+ 811.59776 295.4
[M+H-H2O]+ 755.63186 279.8
[M+HCOO]- 817.63280 291.6
[M+CH3COO]- 831.64845 292.3
[M+Na-2H]- 793.60927 266.6
[M]+ 772.63405 289.0
[M]- 772.63515 289.0
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.