CID 5314014

Pc(4:0/0:0)

Structural Information

Molecular Formula
C12H27NO7P
SMILES
CCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C12H26NO7P/c1-5-6-12(15)18-9-11(14)10-20-21(16,17)19-8-7-13(2,3)4/h11,14H,5-10H2,1-4H3/p+1/t11-/m1/s1
InChIKey
YOLSCEBOFNSEKU-LLVKDONJSA-O
Compound name
2-[[(2R)-3-butanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

328.15253 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.15981 181.3
[M+Na]+ 351.14175 186.9
[M-H]- 327.14525 182.3
[M+NH4]+ 346.18635 185.4
[M+K]+ 367.11569 177.6
[M+H-H2O]+ 311.14979 170.0
[M+HCOO]- 373.15073 198.1
[M+CH3COO]- 387.16638 201.0
[M+Na-2H]- 349.12720 171.7
[M]+ 328.15198 179.1
[M]- 328.15308 179.1
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