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]+ 125.096086 113.2
[M+Na]+ 147.078028 117.7
[M-H]- 123.081534 119.5
[M+NH4]+ 142.122633 122.2
[M+K]+ 163.051968 122.5
[M+H-H2O]+ 107.086070 99.8
[M+HCOO]- 169.087011 132.6
[M+CH3COO]- 183.102661 185.2
[M+Na-2H]- 145.063476 118.9
[M]+ 124.08826142 127.4
[M]- 124.08935858 127.4
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.