CID 14028

1-diethoxyphosphorylpropan-2-one

Structural Information

Molecular Formula
C7H15O4P
SMILES
CCOP(=O)(CC(=O)C)OCC
InChI
InChI=1S/C7H15O4P/c1-4-10-12(9,11-5-2)6-7(3)8/h4-6H2,1-3H3
InChIKey
RSAFKRSMGOSHRK-UHFFFAOYSA-N
Compound name
1-diethoxyphosphorylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

651
Patents

194.0708 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.078076 143.4
[M+Na]+ 217.060018 150.5
[M-H]- 193.063524 142.6
[M+NH4]+ 212.104623 163.6
[M+K]+ 233.033958 151.4
[M+H-H2O]+ 177.068060 136.7
[M+HCOO]- 239.069001 170.9
[M+CH3COO]- 253.084651 184.4
[M+Na-2H]- 215.045466 146.2
[M]+ 194.07025142 150.2
[M]- 194.07134858 150.2
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