CID 9546666

2-palmitoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C24H51NO7P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)32-23(21-26)22-31-33(28,29)30-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/p+1/t23-/m1/s1
InChIKey
NEGQHKSYEYVFTD-HSZRJFAPSA-O
Compound name
2-[[(2R)-2-hexadecanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

113
Patents

496.3403 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.34758 227.8
[M+Na]+ 519.32952 232.4
[M+NH4]+ 514.37412 201.1
[M+K]+ 535.30346 238.5
[M-H]- 495.33302 222.6
[M+Na-2H]- 517.31497 220.8
[M]+ 496.33975 228.7
[M]- 496.34085 228.7
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