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

84
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 128.9
[M+Na]+ 199.96815 139.0
[M-H]- 175.97165 132.2
[M+NH4]+ 195.01275 150.5
[M+K]+ 215.94209 128.5
[M+H-H2O]+ 159.97619 129.4
[M+HCOO]- 221.97713 145.8
[M+CH3COO]- 235.99278 173.8
[M+Na-2H]- 197.95360 136.1
[M]+ 176.97838 141.8
[M]- 176.97948 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

No literature data available for this compound.

Patent stripe

patents stripe