CID 121552372

3-(bromomethyl)-1-methylpiperidin-2-one

Structural Information

Molecular Formula
C7H12BrNO
SMILES
CN1CCCC(C1=O)CBr
InChI
InChI=1S/C7H12BrNO/c1-9-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3
InChIKey
QRPDNFCNRVEUIB-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-methylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.01022 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01750 137.5
[M+Na]+ 227.99944 139.8
[M+NH4]+ 223.04404 142.4
[M+K]+ 243.97338 139.8
[M-H]- 204.00294 137.4
[M+Na-2H]- 225.98489 139.4
[M]+ 205.00967 136.5
[M]- 205.01077 136.5
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

No patent data available for this compound.