CID 460603

1-o-palmitoyl-sn-glycero-3-phosphocholine

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

130
References

49919
Patents

496.3403 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.347576 226.4
[M+Na]+ 519.329518 229.4
[M-H]- 495.333024 222.7
[M+NH4]+ 514.374123 229.8
[M+K]+ 535.303458 225.1
[M+H-H2O]+ 479.337560 211.5
[M+HCOO]- 541.338501 238.0
[M+CH3COO]- 555.354151 236.2
[M+Na-2H]- 517.314966 210.9
[M]+ 496.33975142 223.0
[M]- 496.34084858 223.0
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.