CID 118171

3-bromopiperidin-2-one

Structural Information

Molecular Formula
C5H8BrNO
SMILES
C1CC(C(=O)NC1)Br
InChI
InChI=1S/C5H8BrNO/c6-4-2-1-3-7-5(4)8/h4H,1-3H2,(H,7,8)
InChIKey
CJFHQJDFNSXAOC-UHFFFAOYSA-N
Compound name
3-bromopiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

176.97893 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 130.2
[M+Na]+ 199.96815 132.0
[M+NH4]+ 195.01275 135.0
[M+K]+ 215.94209 132.5
[M-H]- 175.97165 129.6
[M+Na-2H]- 197.95360 132.2
[M]+ 176.97838 128.8
[M]- 176.97948 128.8
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