CID 1498163

31101-37-8

Structural Information

Molecular Formula

C₈H₁₂N₂OS

SMILES

C1CCN(CC1)C2=NC(=O)CS2

InChI

InChI=1S/C8H12N2OS/c11-7-6-12-8(9-7)10-4-2-1-3-5-10/h1-6H2

InChIKey

CLFGVFOSEHLIBT-UHFFFAOYSA-N

Compound name

2-piperidin-1-yl-1,3-thiazol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 184.06703 Da
Monoisotopic Mass: 1.2
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]+	185.07431	139.9
[M+Na]+	207.05625	150.4
[M+NH4]+	202.10085	148.9
[M+K]+	223.03019	144.1
[M-H]-	183.05975	142.3
[M+Na-2H]-	205.04170	145.0
[M]+	184.06648	142.3
[M]-	184.06758	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe