CID 52924052

Lysopc(20:1(11z))

Structural Information

Molecular Formula
C28H57NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C28H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h12-13,27,30H,5-11,14-26H2,1-4H3/p+1/b13-12-/t27-/m1/s1
InChIKey
YYSFWGQAKJTHRE-MEOKJUQFSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-icos-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

550.38727 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 551.39455 238.2
[M+Na]+ 573.37649 241.1
[M-H]- 549.37999 233.9
[M+NH4]+ 568.42109 241.9
[M+K]+ 589.35043 238.0
[M+H-H2O]+ 533.38453 222.9
[M+HCOO]- 595.38547 249.1
[M+CH3COO]- 609.40112 246.1
[M+Na-2H]- 571.36194 221.5
[M]+ 550.38672 234.5
[M]- 550.38782 234.5
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.