CID 91811697

5-(bromomethyl)piperidin-2-one

Structural Information

Molecular Formula
C6H10BrNO
SMILES
C1CC(=O)NCC1CBr
InChI
InChI=1S/C6H10BrNO/c7-3-5-1-2-6(9)8-4-5/h5H,1-4H2,(H,8,9)
InChIKey
JBIYETMHWVBXDI-UHFFFAOYSA-N
Compound name
5-(bromomethyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.99458 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.001856 133.4
[M+Na]+ 213.983798 143.1
[M-H]- 189.987304 136.6
[M+NH4]+ 209.028403 154.5
[M+K]+ 229.957738 132.3
[M+H-H2O]+ 173.991840 133.8
[M+HCOO]- 235.992781 150.0
[M+CH3COO]- 250.008431 176.6
[M+Na-2H]- 211.969246 140.1
[M]+ 190.99403142 146.6
[M]- 190.99512858 146.6
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.