CID 10942780

3-(bromomethyl)cyclobutan-1-one

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

55
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 115.0
[M+Na]+ 184.95725 125.7
[M-H]- 160.96075 121.6
[M+NH4]+ 180.00185 133.4
[M+K]+ 200.93119 119.2
[M+H-H2O]+ 144.96529 111.9
[M+HCOO]- 206.96623 135.8
[M+CH3COO]- 220.98188 178.9
[M+Na-2H]- 182.94270 123.7
[M]+ 161.96748 140.3
[M]- 161.96858 140.3
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