CID 9546668

2-stearoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C26H55NO7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m1/s1
InChIKey
IQGPMZRCLCCXAG-RUZDIDTESA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

392
Patents

524.37164 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.37892 234.8
[M+Na]+ 547.36086 239.1
[M+NH4]+ 542.40546 207.8
[M+K]+ 563.33480 245.0
[M-H]- 523.36436 229.5
[M+Na-2H]- 545.34631 227.2
[M]+ 524.37109 235.6
[M]- 524.37219 235.6
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

patents stripe