CID 3003259

2-pyrrolidin-1-yl-2-thioxo-thioacetamide

Structural Information

Molecular Formula

C₆H₁₀N₂S₂

SMILES

C1CCN(C1)C(=S)C(=S)N

InChI

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

InChIKey

PKFJJGBGWTUMQN-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-yl-2-sulfanylideneethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 174.02853 Da
Monoisotopic Mass: 0.7
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	136.8
[M+Na]+	197.01775	143.3
[M-H]-	173.02125	138.1
[M+NH4]+	192.06235	157.4
[M+K]+	212.99169	139.9
[M+H-H2O]+	157.02579	131.0
[M+HCOO]-	219.02673	146.3
[M+CH3COO]-	233.04238	177.3
[M+Na-2H]-	195.00320	133.7
[M]+	174.02798	132.8
[M]-	174.02908	132.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.