CID 3055291

Brn 1214197

Structural Information

Molecular Formula

C₁₀H₁₆N₂OS

SMILES

C1CCC(CC1)C(=O)NC2=NCCS2

InChI

InChI=1S/C10H16N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h8H,1-7H2,(H,11,12,13)

InChIKey

CPGJCOKLIMIVBU-UHFFFAOYSA-N

Compound name

N-(4,5-dihydro-1,3-thiazol-2-yl)cyclohexanecarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 212.09833 Da
Monoisotopic Mass: 2.0
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]+	213.10561	147.8
[M+Na]+	235.08755	151.8
[M-H]-	211.09105	152.2
[M+NH4]+	230.13215	166.7
[M+K]+	251.06149	149.5
[M+H-H2O]+	195.09559	140.6
[M+HCOO]-	257.09653	162.7
[M+CH3COO]-	271.11218	183.3
[M+Na-2H]-	233.07300	147.8
[M]+	212.09778	142.9
[M]-	212.09888	142.9

Literature stripe

literature stripe

Patent stripe

patents stripe