CID 131822057

Pa(22:0/18:1(11z))

Structural Information

Molecular Formula
C43H83O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C43H83O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h14,16,41H,3-13,15,17-40H2,1-2H3,(H2,46,47,48)/b16-14-/t41-/m1/s1
InChIKey
QQWDHWISBPGDTI-MITQYPHISA-N
Compound name
[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

758.5826 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.58988 287.2
[M+Na]+ 781.57182 287.6
[M+NH4]+ 776.61642 291.0
[M+K]+ 797.54576 289.0
[M-H]- 757.57532 274.0
[M+Na-2H]- 779.55727 284.8
[M]+ 758.58205 284.5
[M]- 758.58315 284.5
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.