CID 86289468

1-dodecyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C20H45NO6P
SMILES
CCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C20H44NO6P/c1-5-6-7-8-9-10-11-12-13-14-16-25-18-20(22)19-27-28(23,24)26-17-15-21(2,3)4/h20,22H,5-19H2,1-4H3/p+1/t20-/m1/s1
InChIKey
URUYDXJUCOUNCY-HXUWFJFHSA-O
Compound name
2-[[(2R)-3-dodecoxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.29846 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.30574 212.9
[M+Na]+ 449.28768 216.2
[M-H]- 425.29118 207.8
[M+NH4]+ 444.33228 213.9
[M+K]+ 465.26162 210.2
[M+H-H2O]+ 409.29572 197.8
[M+HCOO]- 471.29666 227.8
[M+CH3COO]- 485.31231 223.8
[M+Na-2H]- 447.27313 198.4
[M]+ 426.29791 209.7
[M]- 426.29901 209.7
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

No patent data available for this compound.