CID 82413083

4-(1,3-thiazol-5-yl)piperidine dihydrochloride

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

C1CNCCC1C2=CN=CS2

InChI

InChI=1S/C8H12N2S/c1-3-9-4-2-7(1)8-5-10-6-11-8/h5-7,9H,1-4H2

InChIKey

JXWMKEUIJSXMCW-UHFFFAOYSA-N

Compound name

5-piperidin-4-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.07211 Da
Monoisotopic Mass: 1.1
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]+	169.079386	134.6
[M+Na]+	191.061328	141.1
[M-H]-	167.064834	136.9
[M+NH4]+	186.105933	153.8
[M+K]+	207.035268	137.9
[M+H-H2O]+	151.069370	127.5
[M+HCOO]-	213.070311	148.5
[M+CH3COO]-	227.085961	146.5
[M+Na-2H]-	189.046776	136.3
[M]+	168.07156142	129.8
[M]-	168.07265858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe