CID 12933751

Bicyclo[3.2.0]hept-3-en-6-one

Structural Information

Molecular Formula
C7H8O
SMILES
C1C=CC2C1CC2=O
InChI
InChI=1S/C7H8O/c8-7-4-5-2-1-3-6(5)7/h1,3,5-6H,2,4H2
InChIKey
XBOYRBXLERDCAM-UHFFFAOYSA-N
Compound name
bicyclo[3.2.0]hept-3-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

108.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 113.5
[M+Na]+ 131.04674 121.4
[M-H]- 107.05024 118.6
[M+NH4]+ 126.09134 133.0
[M+K]+ 147.02068 122.9
[M+H-H2O]+ 91.054780 105.1
[M+HCOO]- 153.05572 136.7
[M+CH3COO]- 167.07137 171.5
[M+Na-2H]- 129.03219 120.6
[M]+ 108.05697 121.7
[M]- 108.05807 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