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

98
Patents

176.97893 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.986206 128.9
[M+Na]+ 199.968148 139.0
[M-H]- 175.971654 132.2
[M+NH4]+ 195.012753 150.5
[M+K]+ 215.942088 128.5
[M+H-H2O]+ 159.976190 129.4
[M+HCOO]- 221.977131 145.8
[M+CH3COO]- 235.992781 173.8
[M+Na-2H]- 197.953596 136.1
[M]+ 176.97838142 141.8
[M]- 176.97947858 141.8
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