CID 102898

Bicyclononadiene diepoxide

Structural Information

Molecular Formula
C9H12O2
SMILES
C1C2CC3C(C2CC4C1O4)O3
InChI
InChI=1S/C9H12O2/c1-4-2-8-9(11-8)5(4)3-7-6(1)10-7/h4-9H,1-3H2
InChIKey
MGAKFFHPSIQGDC-UHFFFAOYSA-N
Compound name
4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

152.08372 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 141.7
[M+Na]+ 175.07294 151.1
[M-H]- 151.07644 149.1
[M+NH4]+ 170.11754 153.2
[M+K]+ 191.04688 150.6
[M+H-H2O]+ 135.08098 136.5
[M+HCOO]- 197.08192 155.0
[M+CH3COO]- 211.09757 152.8
[M+Na-2H]- 173.05839 147.4
[M]+ 152.08317 146.2
[M]- 152.08427 146.2
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

patents stripe