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: 13
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]+	185.074306	139.3
[M+Na]+	207.056248	146.3
[M-H]-	183.059754	143.0
[M+NH4]+	202.100853	158.7
[M+K]+	223.030188	144.1
[M+H-H2O]+	167.064290	132.2
[M+HCOO]-	229.065231	153.6
[M+CH3COO]-	243.080881	151.5
[M+Na-2H]-	205.041696	139.8
[M]+	184.06648142	135.9
[M]-	184.06757858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe