CID 131801674

Pc(p-18:1(11z)/p-18:1(11z))

Structural Information

Molecular Formula
C44H85NO6P
SMILES
CCCCCC/C=C\CCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O/C=C\CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C44H84NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-48-42-44(43-51-52(46,47)50-41-38-45(3,4)5)49-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16-19,36-37,39-40,44H,6-15,20-35,38,41-43H2,1-5H3/p+1/b18-16-,19-17-,39-36-,40-37-/t44-/m1/s1
InChIKey
LTQBTADUGKSCOZ-WRCNLVTNSA-O
Compound name
2-[[(2R)-2,3-bis[(1Z,11Z)-octadeca-1,11-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

754.61145 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.61873 288.2
[M+Na]+ 777.60067 290.2
[M-H]- 753.60417 277.7
[M+NH4]+ 772.64527 292.0
[M+K]+ 793.57461 292.5
[M+H-H2O]+ 737.60871 271.6
[M+HCOO]- 799.60965 298.6
[M+CH3COO]- 813.62530 287.7
[M+Na-2H]- 775.58612 266.1
[M]+ 754.61090 284.8
[M]- 754.61200 284.8
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.