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

25742
Patents

140.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 139.9
[M+Na]+ 163.07294 147.7
[M-H]- 139.07644 148.9
[M+NH4]+ 158.11754 148.7
[M+K]+ 179.04688 149.5
[M+H-H2O]+ 123.08098 133.4
[M+HCOO]- 185.08192 156.0
[M+CH3COO]- 199.09757 151.1
[M+Na-2H]- 161.05839 146.3
[M]+ 140.08317 143.4
[M]- 140.08427 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.