CID 215558

Brn 1788838

Structural Information

Molecular Formula

C₆H₁₄NO₄PS

SMILES

CCOP(=O)(OCC)SCC(=O)N

InChI

InChI=1S/C6H14NO4PS/c1-3-10-12(9,11-4-2)13-5-6(7)8/h3-5H2,1-2H3,(H2,7,8)

InChIKey

KVGKMRMQMHUJIJ-UHFFFAOYSA-N

Compound name

2-diethoxyphosphorylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.03812 Da
Monoisotopic Mass: -0.4
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]+	228.04540	147.7
[M+Na]+	250.02734	153.5
[M-H]-	226.03084	146.2
[M+NH4]+	245.07194	166.0
[M+K]+	266.00128	153.0
[M+H-H2O]+	210.03538	139.7
[M+HCOO]-	272.03632	170.6
[M+CH3COO]-	286.05197	189.4
[M+Na-2H]-	248.01279	147.2
[M]+	227.03757	153.6
[M]-	227.03867	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.