CID 114431

Vinylcyclohexane 1,2-monoepoxide

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1CC(CC=C1)C2CO2

InChI

InChI=1S/C8H12O/c1-2-4-7(5-3-1)8-6-9-8/h1-2,7-8H,3-6H2

InChIKey

OLKHRYQRCJLWLL-UHFFFAOYSA-N

Compound name

2-cyclohex-3-en-1-yloxirane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 5
References: 174
Patents: 124.08881 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]+	125.096086	123.7
[M+Na]+	147.078028	131.5
[M-H]-	123.081534	131.6
[M+NH4]+	142.122633	139.7
[M+K]+	163.051968	131.6
[M+H-H2O]+	107.086070	117.2
[M+HCOO]-	169.087011	145.5
[M+CH3COO]-	183.102661	173.4
[M+Na-2H]-	145.063476	132.1
[M]+	124.08826142	123.6
[M]-	124.08935858	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe