CID 11062940

128312-69-6

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

179
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 122.2
[M+Na]+ 198.97289 131.4
[M-H]- 174.97639 128.3
[M+NH4]+ 194.01749 139.7
[M+K]+ 214.94683 125.0
[M+H-H2O]+ 158.98093 118.6
[M+HCOO]- 220.98187 141.7
[M+CH3COO]- 234.99752 181.4
[M+Na-2H]- 196.95834 129.6
[M]+ 175.98312 146.9
[M]- 175.98422 146.9
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