CID 170606

42072-27-5

Structural Information

Molecular Formula

C₄H₁₀NO₃PS

SMILES

CC(=O)NP(=S)(OC)OC

InChI

InChI=1S/C4H10NO3PS/c1-4(6)5-9(10,7-2)8-3/h1-3H3,(H,5,6,10)

InChIKey

QXKNLUMRVZYMRN-UHFFFAOYSA-N

Compound name

N-dimethoxyphosphinothioylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 183.0119 Da
Monoisotopic Mass: 0.7
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]+	184.019176	135.6
[M+Na]+	206.001118	142.6
[M-H]-	182.004624	135.2
[M+NH4]+	201.045723	156.2
[M+K]+	221.975058	142.5
[M+H-H2O]+	166.009160	128.3
[M+HCOO]-	228.010101	159.6
[M+CH3COO]-	242.025751	181.3
[M+Na-2H]-	203.986566	136.9
[M]+	183.01135142	140.3
[M]-	183.01244858	140.3

Literature stripe

literature stripe

Patent stripe

patents stripe