CID 121225543

Chebi:132285

Structural Information

Molecular Formula
C26H53NO8P
SMILES
CCCCCCCC/C=C\C(CCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O)O
InChI
InChI=1S/C26H52NO8P/c1-5-6-7-8-9-10-11-14-17-24(28)18-15-12-13-16-19-26(30)33-22-25(29)23-35-36(31,32)34-21-20-27(2,3)4/h14,17,24-25,28-29H,5-13,15-16,18-23H2,1-4H3/p+1/b17-14-/t24?,25-/m1/s1
InChIKey
LXMIXPWDURHZGB-SQRAKKIQSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-8-hydroxyoctadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.3509 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.35818 231.0
[M+Na]+ 561.34012 233.2
[M-H]- 537.34362 229.0
[M+NH4]+ 556.38472 234.7
[M+K]+ 577.31406 229.7
[M+H-H2O]+ 521.34816 215.4
[M+HCOO]- 583.34910 238.5
[M+CH3COO]- 597.36475 240.4
[M+Na-2H]- 559.32557 214.7
[M]+ 538.35035 226.5
[M]- 538.35145 226.5
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.