CID 11062940

2-bromo-1-cyclobutylethanone

Structural Information

Molecular Formula
C6H9BrO
SMILES
C1CC(C1)C(=O)CBr
InChI
InChI=1S/C6H9BrO/c7-4-6(8)5-2-1-3-5/h5H,1-4H2
InChIKey
ODPHLRQTQFMNJQ-UHFFFAOYSA-N
Compound name
2-bromo-1-cyclobutylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

176
Patents

175.98367 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.99095 128.3
[M+Na]+ 198.97289 126.4
[M+NH4]+ 194.01749 130.2
[M+K]+ 214.94683 128.7
[M-H]- 174.97639 125.8
[M+Na-2H]- 196.95834 128.7
[M]+ 175.98312 125.1
[M]- 175.98422 125.1
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

patents stripe