CID 7833

4-vinylcyclohexene dioxide

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CC2C(O2)CC1C3CO3

InChI

InChI=1S/C8H12O2/c1-2-6-7(10-6)3-5(1)8-4-9-8/h5-8H,1-4H2

InChIKey

OECTYKWYRCHAKR-UHFFFAOYSA-N

Compound name

3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 194
References: 25411
Patents: 140.08372 Da
Monoisotopic Mass: 0.8
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]+	141.09100	114.2
[M+Na]+	163.07294	127.3
[M+NH4]+	158.11754	124.0
[M+K]+	179.04688	126.4
[M-H]-	139.07644	131.3
[M+Na-2H]-	161.05839	124.7
[M]+	140.08317	122.9
[M]-	140.08427	122.9

Literature stripe

literature stripe

Patent stripe

patents stripe