CID 24262084

1017251-55-6

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

CC1=CSC(=N1)CC2CCCN2

InChI

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

InChIKey

JXPACTCKTKKCAJ-UHFFFAOYSA-N

Compound name

4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.08777 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]+	183.09505	140.5
[M+Na]+	205.07699	150.5
[M+NH4]+	200.12159	149.5
[M+K]+	221.05093	145.8
[M-H]-	181.08049	142.6
[M+Na-2H]-	203.06244	145.2
[M]+	182.08722	142.8
[M]-	182.08832	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.