CID 5313040

1-dodecanoyl-2-hexadecanoyl-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

2
Patents

678.5074 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 679.51468 269.3
[M+Na]+ 701.49662 272.4
[M+NH4]+ 696.54122 245.6
[M+K]+ 717.47056 277.6
[M-H]- 677.50012 263.8
[M+Na-2H]- 699.48207 258.6
[M]+ 678.50685 269.6
[M]- 678.50795 269.6
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.