CID 12745780

1-benzyl-3-bromopiperidin-2-one

Structural Information

Molecular Formula
C12H14BrNO
SMILES
C1CC(C(=O)N(C1)CC2=CC=CC=C2)Br
InChI
InChI=1S/C12H14BrNO/c13-11-7-4-8-14(12(11)15)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChIKey
OASXCKSPMWTYKM-UHFFFAOYSA-N
Compound name
1-benzyl-3-bromopiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

267.02588 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.03316 152.3
[M+Na]+ 290.01510 161.8
[M-H]- 266.01860 159.5
[M+NH4]+ 285.05970 171.1
[M+K]+ 305.98904 150.5
[M+H-H2O]+ 250.02314 151.3
[M+HCOO]- 312.02408 169.9
[M+CH3COO]- 326.03973 192.9
[M+Na-2H]- 288.00055 158.0
[M]+ 267.02533 167.4
[M]- 267.02643 167.4
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