CID 207377

Brn 1877800

Structural Information

Molecular Formula

C₈H₁₈NO₃PS₂

SMILES

CCNC(=O)CSP(=S)(OCC)OCC

InChI

InChI=1S/C8H18NO3PS2/c1-4-9-8(10)7-15-13(14,11-5-2)12-6-3/h4-7H2,1-3H3,(H,9,10)

InChIKey

CPUUWGNOZPRCDF-UHFFFAOYSA-N

Compound name

2-diethoxyphosphinothioylsulfanyl-N-ethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 271.04657 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]+	272.05385	156.8
[M+Na]+	294.03579	161.4
[M-H]-	270.03929	155.0
[M+NH4]+	289.08039	173.7
[M+K]+	310.00973	158.5
[M+H-H2O]+	254.04383	147.9
[M+HCOO]-	316.04477	173.7
[M+CH3COO]-	330.06042	197.9
[M+Na-2H]-	292.02124	154.5
[M]+	271.04602	163.0
[M]-	271.04712	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe