CID 122179

Dimephosphon

Structural Information

Molecular Formula

C₈H₁₇O₄P

SMILES

CC(=O)CC(C)(C)P(=O)(OC)OC

InChI

InChI=1S/C8H17O4P/c1-7(9)6-8(2,3)13(10,11-4)12-5/h6H2,1-5H3

InChIKey

MOMJYWJXUNIBGJ-UHFFFAOYSA-N

Compound name

4-dimethoxyphosphoryl-4-methylpentan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 55
References: 73
Patents: 208.08644 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	209.09372	147.6
[M+Na]+	231.07566	154.8
[M-H]-	207.07916	147.0
[M+NH4]+	226.12026	167.4
[M+K]+	247.04960	155.8
[M+H-H2O]+	191.08370	141.5
[M+HCOO]-	253.08464	173.2
[M+CH3COO]-	267.10029	187.9
[M+Na-2H]-	229.06111	151.1
[M]+	208.08589	154.3
[M]-	208.08699	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe