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: 7
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]+	175.035806	135.4
[M+Na]+	197.017748	142.9
[M-H]-	173.021254	136.9
[M+NH4]+	192.062353	156.2
[M+K]+	212.991688	138.9
[M+H-H2O]+	157.025790	129.7
[M+HCOO]-	219.026731	145.9
[M+CH3COO]-	233.042381	178.9
[M+Na-2H]-	195.003196	132.6
[M]+	174.02798142	132.5
[M]-	174.02907858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe