CID 200728

Oms 297

Structural Information

Molecular Formula

C₇H₁₆NO₃PS₂

SMILES

CCOP(=S)(OCC)SCC(=O)NC

InChI

InChI=1S/C7H16NO3PS2/c1-4-10-12(13,11-5-2)14-6-7(9)8-3/h4-6H2,1-3H3,(H,8,9)

InChIKey

AITRBAWLXICRTL-UHFFFAOYSA-N

Compound name

2-diethoxyphosphinothioylsulfanyl-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 257.0309 Da
Monoisotopic Mass: 1.7
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]+	258.03818	152.4
[M+Na]+	280.02012	157.5
[M-H]-	256.02362	150.9
[M+NH4]+	275.06472	169.9
[M+K]+	295.99406	154.8
[M+H-H2O]+	240.02816	143.8
[M+HCOO]-	302.02910	169.7
[M+CH3COO]-	316.04475	195.0
[M+Na-2H]-	278.00557	150.6
[M]+	257.03035	158.3
[M]-	257.03145	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe