CID 2743555

2-(4-methoxyphenoxy)ethanethioamide

Structural Information

Molecular Formula

C₉H₁₁NO₂S

SMILES

COC1=CC=C(C=C1)OCC(=S)N

InChI

InChI=1S/C9H11NO2S/c1-11-7-2-4-8(5-3-7)12-6-9(10)13/h2-5H,6H2,1H3,(H2,10,13)

InChIKey

ZJMUDUBPOVRRFX-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenoxy)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 197.05106 Da
Monoisotopic Mass: 1.2
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]+	198.05834	141.0
[M+Na]+	220.04028	151.8
[M+NH4]+	215.08488	149.3
[M+K]+	236.01422	144.4
[M-H]-	196.04378	143.2
[M+Na-2H]-	218.02573	146.5
[M]+	197.05051	143.5
[M]-	197.05161	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe