CID 58734

101692-32-4

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CN1C=CN(C1=O)C2CCCCC2

InChI

InChI=1S/C10H16N2O/c1-11-7-8-12(10(11)13)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3

InChIKey

HOMUPAMMSCTWIY-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-methylimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 180.12627 Da
Monoisotopic Mass: 1.3
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]+	181.133546	139.4
[M+Na]+	203.115488	146.8
[M-H]-	179.118994	143.2
[M+NH4]+	198.160093	158.5
[M+K]+	219.089428	144.4
[M+H-H2O]+	163.123530	131.6
[M+HCOO]-	225.124471	159.4
[M+CH3COO]-	239.140121	179.8
[M+Na-2H]-	201.100936	142.5
[M]+	180.12572142	136.1
[M]-	180.12681858	136.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.