CID 352352

O,o-diethyl n-ethylphosphoramidothioate

Structural Information

Molecular Formula

C₆H₁₆NO₂PS

SMILES

CCNP(=S)(OCC)OCC

InChI

InChI=1S/C6H16NO2PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3,(H,7,11)

InChIKey

HNHOGRPMDMPCDQ-UHFFFAOYSA-N

Compound name

N-diethoxyphosphinothioylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 197.06393 Da
Monoisotopic Mass: 2.1
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]+	198.07121	143.1
[M+Na]+	220.05315	149.4
[M-H]-	196.05665	142.2
[M+NH4]+	215.09775	163.4
[M+K]+	236.02709	148.3
[M+H-H2O]+	180.06119	135.4
[M+HCOO]-	242.06213	167.0
[M+CH3COO]-	256.07778	186.2
[M+Na-2H]-	218.03860	144.2
[M]+	197.06338	148.6
[M]-	197.06448	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe