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: 48
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]+	195.078076	143.0
[M+Na]+	217.060018	149.9
[M-H]-	193.063524	142.3
[M+NH4]+	212.104623	163.2
[M+K]+	233.033958	151.2
[M+H-H2O]+	177.068060	136.5
[M+HCOO]-	239.069001	169.5
[M+CH3COO]-	253.084651	185.2
[M+Na-2H]-	215.045466	144.6
[M]+	194.07025142	149.1
[M]-	194.07134858	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe