CID 24262127

3-[(1,3-thiazol-2-yl)methyl]piperidine

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

C1CC(CNC1)CC2=NC=CS2

InChI

InChI=1S/C9H14N2S/c1-2-8(7-10-3-1)6-9-11-4-5-12-9/h4-5,8,10H,1-3,6-7H2

InChIKey

OVWNJEPOYONWQI-UHFFFAOYSA-N

Compound name

2-(piperidin-3-ylmethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 182.08777 Da
Monoisotopic Mass: 1.6
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]+	183.095046	138.9
[M+Na]+	205.076988	145.0
[M-H]-	181.080494	141.0
[M+NH4]+	200.121593	157.6
[M+K]+	221.050928	141.5
[M+H-H2O]+	165.085030	131.6
[M+HCOO]-	227.085971	152.5
[M+CH3COO]-	241.101621	150.3
[M+Na-2H]-	203.062436	140.1
[M]+	182.08722142	134.4
[M]-	182.08831858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe