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

7
Annotation Hits: 196
References: 25839
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]+	141.090996	139.9
[M+Na]+	163.072938	147.7
[M-H]-	139.076444	148.9
[M+NH4]+	158.117543	148.7
[M+K]+	179.046878	149.5
[M+H-H2O]+	123.080980	133.4
[M+HCOO]-	185.081921	156.0
[M+CH3COO]-	199.097571	151.1
[M+Na-2H]-	161.058386	146.3
[M]+	140.08317142	143.4
[M]-	140.08426858	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe