CID 9235

Bicyclo[2.2.2]octane

Structural Information

Molecular Formula
C8H14
SMILES
C1CC2CCC1CC2
InChI
InChI=1S/C8H14/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-6H2
InChIKey
GPRLTFBKWDERLU-UHFFFAOYSA-N
Compound name
bicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

55
References

39244
Patents

110.10955 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 119.0
[M+Na]+ 133.09877 129.9
[M+NH4]+ 128.14337 131.7
[M+K]+ 149.07271 122.0
[M-H]- 109.10227 118.8
[M+Na-2H]- 131.08422 119.3
[M]+ 110.10900 120.4
[M]- 110.11010 120.4
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