CID 52922201

Pc(13:0/22:1(11z))

Structural Information

Molecular Formula
C43H85NO8P
SMILES
CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C43H84NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-17-15-13-11-9-7-2/h21-22,41H,6-20,23-40H2,1-5H3/p+1/b22-21-/t41-/m1/s1
InChIKey
HZGJFGZQULCHMC-XUUAZBNISA-O
Compound name
2-[[(2R)-2-[(Z)-docos-11-enoyl]oxy-3-tridecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

774.60126 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.60854 290.4
[M+Na]+ 797.59048 292.0
[M-H]- 773.59398 283.8
[M+NH4]+ 792.63508 298.6
[M+K]+ 813.56442 295.1
[M+H-H2O]+ 757.59852 275.4
[M+HCOO]- 819.59946 295.2
[M+CH3COO]- 833.61511 290.2
[M+Na-2H]- 795.57593 268.8
[M]+ 774.60071 288.8
[M]- 774.60181 288.8
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.