CID 22227092

3-ethenylcyclobutan-1-one

Structural Information

Molecular Formula
C6H8O
SMILES
C=CC1CC(=O)C1
InChI
InChI=1S/C6H8O/c1-2-5-3-6(7)4-5/h2,5H,1,3-4H2
InChIKey
MLVLWEMNALQEEK-UHFFFAOYSA-N
Compound name
3-ethenylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

96.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 116.9
[M+Na]+ 119.04674 124.0
[M+NH4]+ 114.09134 121.8
[M+K]+ 135.02068 120.1
[M-H]- 95.050244 115.5
[M+Na-2H]- 117.03219 119.9
[M]+ 96.056971 116.1
[M]- 96.058069 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