CID 24699489

1-(3-bromophenyl)piperidin-2-one

Structural Information

Molecular Formula
C11H12BrNO
SMILES
C1CCN(C(=O)C1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H12BrNO/c12-9-4-3-5-10(8-9)13-7-2-1-6-11(13)14/h3-5,8H,1-2,6-7H2
InChIKey
UYKXCRWDVIEYPY-UHFFFAOYSA-N
Compound name
1-(3-bromophenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

253.01022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.017496 147.7
[M+Na]+ 275.999438 157.7
[M-H]- 252.002944 155.2
[M+NH4]+ 271.044043 167.0
[M+K]+ 291.973378 146.6
[M+H-H2O]+ 236.007480 146.9
[M+HCOO]- 298.008421 165.7
[M+CH3COO]- 312.024071 190.1
[M+Na-2H]- 273.984886 154.0
[M]+ 253.00967142 162.5
[M]- 253.01076858 162.5
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

patents stripe