CID 12628547

Dimethyl (3-methyl-2-oxobutyl)phosphonate

Structural Information

Molecular Formula

C₇H₁₅O₄P

SMILES

CC(C)C(=O)CP(=O)(OC)OC

InChI

InChI=1S/C7H15O4P/c1-6(2)7(8)5-12(9,10-3)11-4/h6H,5H2,1-4H3

InChIKey

BIIUEEHQYBFXTP-UHFFFAOYSA-N

Compound name

1-dimethoxyphosphoryl-3-methylbutan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 194.0708 Da
Monoisotopic Mass: 1.9
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]+	195.07808	142.3
[M+Na]+	217.06002	150.1
[M+NH4]+	212.10462	147.6
[M+K]+	233.03396	147.7
[M-H]-	193.06352	138.7
[M+Na-2H]-	215.04547	143.3
[M]+	194.07025	141.9
[M]-	194.07135	141.9

Literature stripe

literature stripe

Patent stripe

patents stripe