CID 3041609

54473-31-3

Structural Information

Molecular Formula

C₅H₁₂NO₃PS

SMILES

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

InChI

InChI=1S/C5H12NO3PS/c1-5(7)6(2)10(8,9-3)11-4/h1-4H3

InChIKey

DWGPMTLLOKNPFZ-UHFFFAOYSA-N

Compound name

N-[methoxy(methylsulfanyl)phosphoryl]-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.02756 Da
Monoisotopic Mass: -0.4
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]+	198.03484	139.1
[M+Na]+	220.01678	146.0
[M-H]-	196.02028	140.2
[M+NH4]+	215.06138	159.9
[M+K]+	235.99072	147.0
[M+H-H2O]+	180.02482	131.6
[M+HCOO]-	242.02576	163.3
[M+CH3COO]-	256.04141	187.8
[M+Na-2H]-	218.00223	139.4
[M]+	197.02701	145.6
[M]-	197.02811	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.