CID 13121968

2-(pyrrolidin-1-yl)ethanethioamide

Structural Information

Molecular Formula

C₆H₁₂N₂S

SMILES

C1CCN(C1)CC(=S)N

InChI

InChI=1S/C6H12N2S/c7-6(9)5-8-3-1-2-4-8/h1-5H2,(H2,7,9)

InChIKey

QCKBBLGKMHPCSF-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 144.07211 Da
Monoisotopic Mass: 0.3
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]+	145.07939	131.3
[M+Na]+	167.06133	139.2
[M+NH4]+	162.10593	139.9
[M+K]+	183.03527	134.0
[M-H]-	143.06483	132.4
[M+Na-2H]-	165.04678	134.4
[M]+	144.07156	132.8
[M]-	144.07266	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe