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

4
Annotation Hits: 0
References: 8938
Patents: 164.08372 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]+	165.09100	140.0
[M+Na]+	187.07294	150.7
[M-H]-	163.07644	146.9
[M+NH4]+	182.11754	155.1
[M+K]+	203.04688	148.0
[M+H-H2O]+	147.08098	137.7
[M+HCOO]-	209.08192	152.2
[M+CH3COO]-	223.09757	151.6
[M+Na-2H]-	185.05839	143.2
[M]+	164.08317	146.6
[M]-	164.08427	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe