CID 82504

O-ethyl s-methyl phosphoramidothioate

Structural Information

Molecular Formula

C₃H₁₀NO₂PS

SMILES

CCOP(=O)(N)SC

InChI

InChI=1S/C3H10NO2PS/c1-3-6-7(4,5)8-2/h3H2,1-2H3,(H2,4,5)

InChIKey

MINHJPWDPAMUSK-UHFFFAOYSA-N

Compound name

[amino(methylsulfanyl)phosphoryl]oxyethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 155.01698 Da
Monoisotopic Mass: -0.5
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]+	156.02426	129.7
[M+Na]+	178.00620	137.3
[M-H]-	154.00970	128.9
[M+NH4]+	173.05080	151.4
[M+K]+	193.98014	136.6
[M+H-H2O]+	138.01424	122.7
[M+HCOO]-	200.01518	153.9
[M+CH3COO]-	214.03083	176.4
[M+Na-2H]-	175.99165	131.2
[M]+	155.01643	133.1
[M]-	155.01753	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe