CID 10753408

3-bromo-1-phenylpiperidin-2-one

Structural Information

Molecular Formula
C11H12BrNO
SMILES
C1CC(C(=O)N(C1)C2=CC=CC=C2)Br
InChI
InChI=1S/C11H12BrNO/c12-10-7-4-8-13(11(10)14)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChIKey
MFMWCNYXZVIHLW-UHFFFAOYSA-N
Compound name
3-bromo-1-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

253.01022 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe