CID 76540636

6-(bromomethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H10BrNO
SMILES
C1CC(NC(=O)C1)CBr
InChI
InChI=1S/C6H10BrNO/c7-4-5-2-1-3-6(9)8-5/h5H,1-4H2,(H,8,9)
InChIKey
WNYPGLMMEOPDPQ-UHFFFAOYSA-N
Compound name
6-(bromomethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.99458 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.00186 134.6
[M+Na]+ 213.98380 136.3
[M+NH4]+ 209.02840 139.3
[M+K]+ 229.95774 136.6
[M-H]- 189.98730 134.0
[M+Na-2H]- 211.96925 136.4
[M]+ 190.99403 133.3
[M]- 190.99513 133.3
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

No patent data available for this compound.