CID 78961

Quadricyclane

Structural Information

Molecular Formula
C7H8
SMILES
C1C2C3C2C4C1C34
InChI
InChI=1S/C7H8/c1-2-4-5(2)7-3(1)6(4)7/h2-7H,1H2
InChIKey
DGZUEIPKRRSMGK-UHFFFAOYSA-N
Compound name
tetracyclo[3.2.0.02,7.04,6]heptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

1042
Patents

92.0626 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.069876 125.7
[M+Na]+ 115.05182 134.7
[M-H]- 91.055324 131.0
[M+NH4]+ 110.09642 139.1
[M+K]+ 131.02576 132.9
[M+H-H2O]+ 75.059860 118.7
[M+HCOO]- 137.06080 140.2
[M+CH3COO]- 151.07645 137.5
[M+Na-2H]- 113.03727 132.0
[M]+ 92.062051 141.5
[M]- 92.063149 141.5
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.