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

197
Patents

108.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 116.7
[M+Na]+ 131.04674 123.5
[M+NH4]+ 126.09134 122.8
[M+K]+ 147.02068 121.3
[M-H]- 107.05024 115.7
[M+Na-2H]- 129.03219 119.4
[M]+ 108.05697 116.1
[M]- 108.05807 116.1
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