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
3
Annotation Hits

0
References

395
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 233.6
[M+Na]+ 547.36086 236.2
[M-H]- 523.36436 229.2
[M+NH4]+ 542.40546 237.0
[M+K]+ 563.33480 232.7
[M+H-H2O]+ 507.36890 218.4
[M+HCOO]- 569.36984 244.4
[M+CH3COO]- 583.38549 242.0
[M+Na-2H]- 545.34631 217.2
[M]+ 524.37109 230.1
[M]- 524.37219 230.1
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