CID 114431

Cyclohexene, 4-ethenyl-, 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

4
Annotation Hits: 6
References: 350
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]+	125.09609	123.7
[M+Na]+	147.07803	131.5
[M-H]-	123.08153	131.6
[M+NH4]+	142.12263	139.7
[M+K]+	163.05197	131.6
[M+H-H2O]+	107.08607	117.2
[M+HCOO]-	169.08701	145.5
[M+CH3COO]-	183.10266	173.4
[M+Na-2H]-	145.06348	132.1
[M]+	124.08826	123.6
[M]-	124.08936	123.6

Literature stripe

literature stripe

Patent stripe

patents stripe