CID 131750817

Lysopc a c28:1

Structural Information

Molecular Formula
C36H73NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC/C=C/CCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C36H72NO7P/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/h26-27,35,38H,5-25,28-34H2,1-4H3/p+1/b27-26+/t35-/m1/s1
InChIKey
VCXKVGMRVJRCIV-XRKADIMJSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-octacos-5-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

662.51245 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 663.51973 266.5
[M+Na]+ 685.50167 269.2
[M+NH4]+ 680.54627 238.3
[M+K]+ 701.47561 274.4
[M-H]- 661.50517 260.5
[M+Na-2H]- 683.48712 255.7
[M]+ 662.51190 266.5
[M]- 662.51300 266.5
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.