CID 297183

Bicyclo[3.2.0]hept-2-en-6-one

Structural Information

Molecular Formula
C7H8O
SMILES
C1C=CC2C1C(=O)C2
InChI
InChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1-2,5-6H,3-4H2
InChIKey
LNLLHUHPGPKRBM-UHFFFAOYSA-N
Compound name
bicyclo[3.2.0]hept-2-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

200
Patents

108.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.064796 113.5
[M+Na]+ 131.046738 121.4
[M-H]- 107.050244 118.6
[M+NH4]+ 126.091343 133.0
[M+K]+ 147.020678 122.9
[M+H-H2O]+ 91.054780 105.1
[M+HCOO]- 153.055721 136.7
[M+CH3COO]- 167.071371 171.5
[M+Na-2H]- 129.032186 120.6
[M]+ 108.05697142 121.7
[M]- 108.05806858 121.7
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