CID 5313040

1-lauroyl-2-palmitoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C36H73NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-17-18-19-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-20-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1
InChIKey
QQCURFHAGLMXKE-UUWRZZSWSA-O
Compound name
2-[[(2R)-3-dodecanoyloxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

678.5074 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.514676 269.6
[M+Na]+ 701.496618 272.0
[M-H]- 677.500124 264.9
[M+NH4]+ 696.541223 277.7
[M+K]+ 717.470558 272.6
[M+H-H2O]+ 661.504660 255.3
[M+HCOO]- 723.505601 276.4
[M+CH3COO]- 737.521251 272.9
[M+Na-2H]- 699.482066 250.4
[M]+ 678.50685142 267.9
[M]- 678.50794858 267.9
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.