CID 87049

O,o-diethyl thiophosphoramidate

Structural Information

Molecular Formula

C₄H₁₂NO₂PS

SMILES

CCOP(=S)(N)OCC

InChI

InChI=1S/C4H12NO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H2,5,9)

InChIKey

LAGRCNJEUAJJQC-UHFFFAOYSA-N

Compound name

[amino(ethoxy)phosphinothioyl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 17
Patents: 169.03264 Da
Monoisotopic Mass: 1.2
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]+	170.03992	135.0
[M+Na]+	192.02186	142.7
[M+NH4]+	187.06646	142.1
[M+K]+	207.99580	137.1
[M-H]-	168.02536	133.6
[M+Na-2H]-	190.00731	136.8
[M]+	169.03209	135.8
[M]-	169.03319	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe