CID 86289335

2-hexadecyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C24H53NO6P
SMILES
CCCCCCCCCCCCCCCCO[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C24H52NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-29-24(22-26)23-31-32(27,28)30-21-19-25(2,3)4/h24,26H,5-23H2,1-4H3/p+1/t24-/m1/s1
InChIKey
RKKJZVVEVRCBJA-XMMPIXPASA-O
Compound name
2-[[(2R)-2-hexadecoxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

482.36105 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.36833 227.6
[M+Na]+ 505.35027 230.1
[M-H]- 481.35377 221.0
[M+NH4]+ 500.39487 228.5
[M+K]+ 521.32421 225.7
[M+H-H2O]+ 465.35831 212.0
[M+HCOO]- 527.35925 240.9
[M+CH3COO]- 541.37490 235.4
[M+Na-2H]- 503.33572 211.2
[M]+ 482.36050 224.0
[M]- 482.36160 224.0
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.