CID 10942780

3-(bromomethyl)cyclobutanone

Structural Information

Molecular Formula
C5H7BrO
SMILES
C1C(CC1=O)CBr
InChI
InChI=1S/C5H7BrO/c6-3-4-1-5(7)2-4/h4H,1-3H2
InChIKey
KFXLTMWRAJRYGV-UHFFFAOYSA-N
Compound name
3-(bromomethyl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

161.96803 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.97531 123.8
[M+Na]+ 184.95725 122.7
[M+NH4]+ 180.00185 125.9
[M+K]+ 200.93119 124.6
[M-H]- 160.96075 121.6
[M+Na-2H]- 182.94270 124.5
[M]+ 161.96748 120.8
[M]- 161.96858 120.8
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