CID 52929736

Pa(p-20:0/21:0)

Structural Information

Molecular Formula
C44H87O7P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C44H87O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44(45)51-43(42-50-52(46,47)48)41-49-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38,40,43H,3-37,39,41-42H2,1-2H3,(H2,46,47,48)/b40-38-/t43-/m1/s1
InChIKey
JLNSRZXUVUUTET-BDAKYBAVSA-N
Compound name
[(2R)-1-[(Z)-icos-1-enoxy]-3-phosphonooxypropan-2-yl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.61896 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.62624 287.7
[M+Na]+ 781.60818 287.3
[M-H]- 757.61168 271.7
[M+NH4]+ 776.65278 289.0
[M+K]+ 797.58212 292.0
[M+H-H2O]+ 741.61622 276.7
[M+HCOO]- 803.61716 288.8
[M+CH3COO]- 817.63281 289.7
[M+Na-2H]- 779.59363 263.8
[M]+ 758.61841 285.7
[M]- 758.61951 285.7
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.