CID 3051044

67242-41-5

Structural Information

Molecular Formula

C₆H₁₄NO₂PS

SMILES

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

InChI

InChI=1S/C6H14NO2PS/c1-5-6(8)10(9,11-4)7(2)3/h5H2,1-4H3

InChIKey

UQVXJNBLNSPELN-UHFFFAOYSA-N

Compound name

1-[dimethylamino(methylsulfanyl)phosphoryl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.0483 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]+	196.05558	140.8
[M+Na]+	218.03752	147.3
[M-H]-	194.04102	141.7
[M+NH4]+	213.08212	161.7
[M+K]+	234.01146	147.6
[M+H-H2O]+	178.04556	133.2
[M+HCOO]-	240.04650	164.3
[M+CH3COO]-	254.06215	189.5
[M+Na-2H]-	216.02297	140.3
[M]+	195.04775	146.3
[M]-	195.04885	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.