CID 5313850

Pc(o-1:0/2:0)

Structural Information

Molecular Formula
C11H25NO7P
SMILES
CC(=O)O[C@H](COC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C11H24NO7P/c1-10(13)19-11(8-16-5)9-18-20(14,15)17-7-6-12(2,3)4/h11H,6-9H2,1-5H3/p+1/t11-/m1/s1
InChIKey
PHIZERZKVIUDPM-LLVKDONJSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

314.13687 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.14415 178.8
[M+Na]+ 337.12609 185.6
[M-H]- 313.12959 180.6
[M+NH4]+ 332.17069 185.2
[M+K]+ 353.10003 175.8
[M+H-H2O]+ 297.13413 164.5
[M+HCOO]- 359.13507 197.6
[M+CH3COO]- 373.15072 200.6
[M+Na-2H]- 335.11154 174.7
[M]+ 314.13632 178.1
[M]- 314.13742 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe