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

207
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 113.0
[M+Na]+ 119.04674 120.3
[M-H]- 95.050244 117.0
[M+NH4]+ 114.09134 130.2
[M+K]+ 135.02068 122.3
[M+H-H2O]+ 79.054780 104.2
[M+HCOO]- 141.05572 135.9
[M+CH3COO]- 155.07137 170.3
[M+Na-2H]- 117.03219 119.7
[M]+ 96.056971 120.6
[M]- 96.058069 120.6
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