CID 53480466

Lysopc(18:1(11z))

Structural Information

Molecular Formula
C26H53NO7P
SMILES
CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C26H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h10-11,25,28H,5-9,12-24H2,1-4H3/p+1/b11-10-/t25-/m1/s1
InChIKey
PZRFVAHZNWPPAC-VBKSFVIKSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

78
Patents

522.35596 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.36324 232.4
[M+Na]+ 545.34518 237.0
[M+NH4]+ 540.38978 205.2
[M+K]+ 561.31912 243.4
[M-H]- 521.34868 227.3
[M+Na-2H]- 543.33063 225.1
[M]+ 522.35541 233.4
[M]- 522.35651 233.4
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.