CID 461545

Agepc

Structural Information

Molecular Formula
C12H27NO7P
SMILES
CCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)C
InChI
InChI=1S/C12H26NO7P/c1-6-17-9-12(20-11(2)14)10-19-21(15,16)18-8-7-13(3,4)5/h12H,6-10H2,1-5H3/p+1/t12-/m1/s1
InChIKey
OLGKYSVSAKLUHK-GFCCVEGCSA-O
Compound name
2-[[(2R)-2-acetyloxy-3-ethoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27
Patents

328.15253 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15981 182.7
[M+Na]+ 351.14175 189.3
[M-H]- 327.14525 184.1
[M+NH4]+ 346.18635 189.1
[M+K]+ 367.11569 179.9
[M+H-H2O]+ 311.14979 170.8
[M+HCOO]- 373.15073 201.1
[M+CH3COO]- 387.16638 203.6
[M+Na-2H]- 349.12720 173.8
[M]+ 328.15198 181.8
[M]- 328.15308 181.8
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