CID 3051046

67242-43-7

Structural Information

Molecular Formula

C₇H₁₆NO₂PS

SMILES

CC(C)C(=O)P(=O)(N(C)C)SC

InChI

InChI=1S/C7H16NO2PS/c1-6(2)7(9)11(10,12-5)8(3)4/h6H,1-5H3

InChIKey

ULLOSYMHSOGGDL-UHFFFAOYSA-N

Compound name

1-[dimethylamino(methylsulfanyl)phosphoryl]-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.06393 Da
Monoisotopic Mass: 0.9
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]+	210.071206	145.0
[M+Na]+	232.053148	150.8
[M-H]-	208.056654	145.8
[M+NH4]+	227.097753	165.3
[M+K]+	248.027088	151.4
[M+H-H2O]+	192.061190	137.4
[M+HCOO]-	254.062131	167.2
[M+CH3COO]-	268.077781	193.3
[M+Na-2H]-	230.038596	143.0
[M]+	209.06338142	150.4
[M]-	209.06447858	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.