CID 3035127

64038-58-0

Structural Information

Molecular Formula

C₉H₁₄N₂S

SMILES

C1CCC(CC1)N2C=CNC2=S

InChI

InChI=1S/C9H14N2S/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,10,12)

InChIKey

OUOCKULYVNFTIL-UHFFFAOYSA-N

Compound name

3-cyclohexyl-1H-imidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 182.08777 Da
Monoisotopic Mass: 1.7
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	139.5
[M+Na]+	205.07699	150.6
[M+NH4]+	200.12159	148.6
[M+K]+	221.05093	143.7
[M-H]-	181.08049	142.1
[M+Na-2H]-	203.06244	145.1
[M]+	182.08722	142.1
[M]-	182.08832	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe