CID 12860784

Tetracyclo[3.3.0.0^{2,8}.0^{4,6}]octan-3-one

Structural Information

Molecular Formula
C8H8O
SMILES
C1C2C3C2C(=O)C4C1C34
InChI
InChI=1S/C8H8O/c9-8-6-2-1-3-5(4(2)6)7(3)8/h2-7H,1H2
InChIKey
UUCZLQLBGNWSCN-UHFFFAOYSA-N
Compound name
tetracyclo[3.3.0.02,8.04,6]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

120.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.064796 133.8
[M+Na]+ 143.046738 144.9
[M-H]- 119.050244 139.4
[M+NH4]+ 138.091343 150.4
[M+K]+ 159.020678 140.2
[M+H-H2O]+ 103.054780 130.1
[M+HCOO]- 165.055721 150.5
[M+CH3COO]- 179.071371 145.9
[M+Na-2H]- 141.032186 137.6
[M]+ 120.05697142 140.0
[M]- 120.05806858 140.0
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.