CID 82407529

2490418-77-2

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

CC1=C(SC=N1)C2CCNCC2

InChI

InChI=1S/C9H14N2S/c1-7-9(12-6-11-7)8-2-4-10-5-3-8/h6,8,10H,2-5H2,1H3

InChIKey

LEQGZWWNTYQVDW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.08777 Da
Monoisotopic Mass: 1.5
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]+	183.09505	139.4
[M+Na]+	205.07699	150.5
[M+NH4]+	200.12159	148.7
[M+K]+	221.05093	143.7
[M-H]-	181.08049	142.2
[M+Na-2H]-	203.06244	145.1
[M]+	182.08722	142.1
[M]-	182.08832	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.