CID 131750812

Lysopc a c28:0

Structural Information

Molecular Formula
C36H75NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C36H74NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-36(39)42-33-35(38)34-44-45(40,41)43-32-31-37(2,3)4/h35,38H,5-34H2,1-4H3/p+1/t35-/m1/s1
InChIKey
VPAMUPUPKCTFGJ-PGUFJCEWSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-octacosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.52814 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.53542 268.3
[M+Na]+ 687.51736 269.0
[M-H]- 663.52086 260.1
[M+NH4]+ 682.56196 271.4
[M+K]+ 703.49130 269.7
[M+H-H2O]+ 647.52540 251.9
[M+HCOO]- 709.52634 275.1
[M+CH3COO]- 723.54199 270.0
[M+Na-2H]- 685.50281 247.5
[M]+ 664.52759 264.7
[M]- 664.52869 264.7
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.