CID 667665

2-thioxo-1-pyrrolidinethioacetamide

Structural Information

Molecular Formula

C₆H₁₀N₂S₂

SMILES

C1CC(=S)N(C1)CC(=S)N

InChI

InChI=1S/C6H10N2S2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)

InChIKey

FVNHMHXOHPFMNY-UHFFFAOYSA-N

Compound name

2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 174.02853 Da
Monoisotopic Mass: -0.1
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]+	175.03581	136.9
[M+Na]+	197.01775	144.5
[M+NH4]+	192.06235	145.4
[M+K]+	212.99169	137.5
[M-H]-	173.02125	138.0
[M+Na-2H]-	195.00320	138.6
[M]+	174.02798	138.8
[M]-	174.02908	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe