CID 87049

Phosphoramidothioic acid, o,o-diethyl ester

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	134.4
[M+Na]+	192.02186	141.5
[M-H]-	168.02536	133.3
[M+NH4]+	187.06646	155.4
[M+K]+	207.99580	140.5
[M+H-H2O]+	152.02990	127.1
[M+HCOO]-	214.03084	158.2
[M+CH3COO]-	228.04649	179.4
[M+Na-2H]-	190.00731	135.4
[M]+	169.03209	138.0
[M]-	169.03319	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe