CID 84078325

3-cyclobutylcyclobutan-1-one

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC(C1)C2CC(=O)C2
InChI
InChI=1S/C8H12O/c9-8-4-7(5-8)6-2-1-3-6/h6-7H,1-5H2
InChIKey
XCJPRYYUTHKRDV-UHFFFAOYSA-N
Compound name
3-cyclobutylcyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 128.2
[M+Na]+ 147.07803 130.3
[M+NH4]+ 142.12263 129.6
[M+K]+ 163.05197 128.6
[M-H]- 123.08153 125.9
[M+Na-2H]- 145.06348 129.4
[M]+ 124.08826 125.6
[M]- 124.08936 125.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.