CID 213449

S-methyl p-ethylphosphonamidothioate

Structural Information

Molecular Formula

C₃H₁₀NOPS

SMILES

CCP(=O)(N)SC

InChI

InChI=1S/C3H10NOPS/c1-3-6(4,5)7-2/h3H2,1-2H3,(H2,4,5)

InChIKey

NLABAMDCUMFZCB-UHFFFAOYSA-N

Compound name

[amino(methylsulfanyl)phosphoryl]ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 139.02208 Da
Monoisotopic Mass: -0.6
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]+	140.02936	126.8
[M+Na]+	162.01130	134.5
[M-H]-	138.01480	126.0
[M+NH4]+	157.05590	149.2
[M+K]+	177.98524	133.4
[M+H-H2O]+	122.01934	120.0
[M+HCOO]-	184.02028	150.7
[M+CH3COO]-	198.03593	174.4
[M+Na-2H]-	159.99675	128.1
[M]+	139.02153	128.7
[M]-	139.02263	128.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.