CID 4868384

2-chloro-1-[2-(piperidin-1-yl)-1,3-thiazol-4-yl]ethan-1-one hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃ClN₂OS

SMILES

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

InChI

InChI=1S/C10H13ClN2OS/c11-6-9(14)8-7-15-10(12-8)13-4-2-1-3-5-13/h7H,1-6H2

InChIKey

ZYGUFZQODJWFOY-UHFFFAOYSA-N

Compound name

2-chloro-1-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.04372 Da
Monoisotopic Mass: 2.9
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]+	245.050996	152.5
[M+Na]+	267.032938	159.8
[M-H]-	243.036444	156.2
[M+NH4]+	262.077543	170.2
[M+K]+	283.006878	155.7
[M+H-H2O]+	227.040980	145.5
[M+HCOO]-	289.041921	161.8
[M+CH3COO]-	303.057571	163.8
[M+Na-2H]-	265.018386	151.5
[M]+	244.04317142	152.5
[M]-	244.04426858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.