CID 6673

Dicyclopentadiene diepoxide

Structural Information

Molecular Formula
C10H12O2
SMILES
C1C2C3CC4C(C3C1C5C2O5)O4
InChI
InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
InChIKey
BQQUFAMSJAKLNB-UHFFFAOYSA-N
Compound name
4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8626
Patents

164.08372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 117.6
[M+Na]+ 187.07294 129.4
[M+NH4]+ 182.11754 128.7
[M+K]+ 203.04688 132.4
[M-H]- 163.07644 132.8
[M+Na-2H]- 185.05839 122.8
[M]+ 164.08317 125.6
[M]- 164.08427 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe