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

11
Patents

253.01022 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.01750 147.7
[M+Na]+ 275.99944 157.7
[M-H]- 252.00294 155.2
[M+NH4]+ 271.04404 167.0
[M+K]+ 291.97338 146.6
[M+H-H2O]+ 236.00748 146.9
[M+HCOO]- 298.00842 165.7
[M+CH3COO]- 312.02407 190.1
[M+Na-2H]- 273.98489 154.0
[M]+ 253.00967 162.5
[M]- 253.01077 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