CID 24261802

630121-84-5

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

C1CC(CNC1)C2=NC=CS2

InChI

InChI=1S/C8H12N2S/c1-2-7(6-9-3-1)8-10-4-5-11-8/h4-5,7,9H,1-3,6H2

InChIKey

JWDOZKWLXFFMAK-UHFFFAOYSA-N

Compound name

2-piperidin-3-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
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]+	169.07939	134.6
[M+Na]+	191.06133	141.1
[M-H]-	167.06483	136.9
[M+NH4]+	186.10593	153.8
[M+K]+	207.03527	137.9
[M+H-H2O]+	151.06937	127.5
[M+HCOO]-	213.07031	148.5
[M+CH3COO]-	227.08596	146.5
[M+Na-2H]-	189.04678	136.3
[M]+	168.07156	129.8
[M]-	168.07266	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe