CID 5288553

2-(butyryloxy)-1-{[(tetrahydroxyphosphoranyl)oxy]methyl}ethyl butyrate

Structural Information

Molecular Formula
C11H23O9P
SMILES
CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC
InChI
InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1
InChIKey
YBSWGBVCGAZBHG-SECBINFHSA-N
Compound name
[(2R)-2-butanoyloxy-3-(tetrahydroxy-lambda5-phosphanyl)oxypropyl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.10797 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11525 171.6
[M+Na]+ 353.09719 174.7
[M-H]- 329.10069 164.7
[M+NH4]+ 348.14179 182.7
[M+K]+ 369.07113 175.5
[M+H-H2O]+ 313.10523 164.3
[M+HCOO]- 375.10617 188.8
[M+CH3COO]- 389.12182 198.5
[M+Na-2H]- 351.08264 167.1
[M]+ 330.10742 177.6
[M]- 330.10852 177.6
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

No patent data available for this compound.