CID 3625593

526183-08-4

Structural Information

Molecular Formula

C₈H₁₂N₂S

SMILES

C1CCNC(C1)C2=NC=CS2

InChI

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

InChIKey

ILFOGJAUBNLBDZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 168.07211 Da
Monoisotopic Mass: 1.2
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	135.0
[M+Na]+	191.06133	145.9
[M+NH4]+	186.10593	144.5
[M+K]+	207.03527	139.1
[M-H]-	167.06483	137.8
[M+Na-2H]-	189.04678	141.2
[M]+	168.07156	137.6
[M]-	168.07266	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe