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]+ 121.06480 133.8
[M+Na]+ 143.04674 144.9
[M-H]- 119.05024 139.4
[M+NH4]+ 138.09134 150.4
[M+K]+ 159.02068 140.2
[M+H-H2O]+ 103.05478 130.1
[M+HCOO]- 165.05572 150.5
[M+CH3COO]- 179.07137 145.9
[M+Na-2H]- 141.03219 137.6
[M]+ 120.05697 140.0
[M]- 120.05807 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.