CID 20121366

3-methoxypropanethioamide

Structural Information

Molecular Formula

SMILES

COCCC(=S)N

InChI

InChI=1S/C4H9NOS/c1-6-3-2-4(5)7/h2-3H2,1H3,(H2,5,7)

InChIKey

AYGNZQROJVNACM-UHFFFAOYSA-N

Compound name

3-methoxypropanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 119.04048 Da
Monoisotopic Mass: -0.5
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]+	120.04776	123.5
[M+Na]+	142.02970	132.4
[M+NH4]+	137.07430	131.9
[M+K]+	158.00364	125.8
[M-H]-	118.03320	123.5
[M+Na-2H]-	140.01515	126.4
[M]+	119.03993	124.9
[M]-	119.04103	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe