CID 132282516

Chebi:140088

Structural Information

Molecular Formula
C20H43NO7P
SMILES
CCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)28-19(17-22)18-27-29(24,25)26-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/p+1/t19-/m1/s1
InChIKey
GLSCDHQUIDQFRP-LJQANCHMSA-O
Compound name
2-[[(2R)-2-dodecanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

23
Patents

440.2777 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.28498 211.7
[M+Na]+ 463.26692 215.6
[M-H]- 439.27042 209.6
[M+NH4]+ 458.31152 215.3
[M+K]+ 479.24086 209.5
[M+H-H2O]+ 423.27496 197.4
[M+HCOO]- 485.27590 225.0
[M+CH3COO]- 499.29155 224.6
[M+Na-2H]- 461.25237 198.1
[M]+ 440.27715 208.6
[M]- 440.27825 208.6
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

patents stripe