CID 3032838

27366-72-9

Structural Information

Molecular Formula

C₄H₁₀N₂S

SMILES

CN(C)CC(=S)N

InChI

InChI=1S/C4H10N2S/c1-6(2)3-4(5)7/h3H2,1-2H3,(H2,5,7)

InChIKey

GQGHFSJGSKEKJZ-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 118.05647 Da
Monoisotopic Mass: -0.2
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]+	119.06375	124.5
[M+Na]+	141.04569	132.7
[M+NH4]+	136.09029	133.1
[M+K]+	157.01963	126.6
[M-H]-	117.04919	125.5
[M+Na-2H]-	139.03114	127.8
[M]+	118.05592	126.1
[M]-	118.05702	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe