CID 24261809

1017250-61-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂S

SMILES

C1CC(CNC1)C2=NC3=C(S2)CCC3

InChI

InChI=1S/C11H16N2S/c1-4-9-10(5-1)14-11(13-9)8-3-2-6-12-7-8/h8,12H,1-7H2

InChIKey

XYWFGZKQFBKBMH-UHFFFAOYSA-N

Compound name

2-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 208.10342 Da
Monoisotopic Mass: 1.8
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]+	209.110696	146.6
[M+Na]+	231.092638	153.4
[M-H]-	207.096144	149.9
[M+NH4]+	226.137243	167.3
[M+K]+	247.066578	149.7
[M+H-H2O]+	191.100680	140.2
[M+HCOO]-	253.101621	159.0
[M+CH3COO]-	267.117271	158.0
[M+Na-2H]-	229.078086	145.4
[M]+	208.10287142	142.0
[M]-	208.10396858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.