CID 2775267

Pyrrolidine-2-thione

Structural Information

Molecular Formula

SMILES

C1CC(=S)NC1

InChI

InChI=1S/C4H7NS/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

InChIKey

IMWUREPEYPRYOR-UHFFFAOYSA-N

Compound name

pyrrolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1867
Patents: 101.02992 Da
Monoisotopic Mass: 0.0
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]+	102.03720	118.4
[M+Na]+	124.01914	126.2
[M-H]-	100.02264	119.4
[M+NH4]+	119.06374	141.9
[M+K]+	139.99308	124.2
[M+H-H2O]+	84.027180	113.4
[M+HCOO]-	146.02812	134.6
[M+CH3COO]-	160.04377	160.1
[M+Na-2H]-	122.00459	120.6
[M]+	101.02937	114.6
[M]-	101.03047	114.6

Literature stripe

literature stripe

Patent stripe

patents stripe