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: 11
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]+	183.095046	139.0
[M+Na]+	205.076988	146.2
[M-H]-	181.080494	141.4
[M+NH4]+	200.121593	157.9
[M+K]+	221.050928	142.1
[M+H-H2O]+	165.085030	132.1
[M+HCOO]-	227.085971	152.6
[M+CH3COO]-	241.101621	150.8
[M+Na-2H]-	203.062436	139.4
[M]+	182.08722142	134.2
[M]-	182.08831858	134.2

Literature stripe

literature stripe

Patent stripe

patents stripe