CID 97572

S-ethyl p-ethylphosphonamidothioate

Structural Information

Molecular Formula

C₄H₁₂NOPS

SMILES

CCP(=O)(N)SCC

InChI

InChI=1S/C4H12NOPS/c1-3-7(5,6)8-4-2/h3-4H2,1-2H3,(H2,5,6)

InChIKey

BIHHIFKEHSUGQL-UHFFFAOYSA-N

Compound name

[amino(ethylsulfanyl)phosphoryl]ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.03772 Da
Monoisotopic Mass: -0.2
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]+	154.044996	131.4
[M+Na]+	176.026938	138.7
[M-H]-	152.030444	130.5
[M+NH4]+	171.071543	153.2
[M+K]+	192.000878	137.3
[M+H-H2O]+	136.034980	124.4
[M+HCOO]-	198.035921	155.0
[M+CH3COO]-	212.051571	177.4
[M+Na-2H]-	174.012386	132.2
[M]+	153.03717142	133.7
[M]-	153.03826858	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe