CID 86289470

1-decyl-2-acetyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C20H43NO7P
SMILES
CCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C20H42NO7P/c1-6-7-8-9-10-11-12-13-15-25-17-20(28-19(2)22)18-27-29(23,24)26-16-14-21(3,4)5/h20H,6-18H2,1-5H3/p+1/t20-/m1/s1
InChIKey
IAKLXPLKBYMOFA-HXUWFJFHSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-decoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.2777 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.28498 214.8
[M+Na]+ 463.26692 220.4
[M+NH4]+ 458.31152 222.8
[M+K]+ 479.24086 227.0
[M-H]- 439.27042 210.2
[M+Na-2H]- 461.25237 209.4
[M]+ 440.27715 216.3
[M]- 440.27825 216.3
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.