CID 15734029

1-benzyl-3-hydroxypiperidin-4-one

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CN(CC(C1=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-11-6-7-13(9-12(11)15)8-10-4-2-1-3-5-10/h1-5,12,15H,6-9H2
InChIKey
NKALYCXVQZLSGI-UHFFFAOYSA-N
Compound name
1-benzyl-3-hydroxypiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

205.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.4
[M+Na]+ 228.09950 151.4
[M-H]- 204.10300 148.9
[M+NH4]+ 223.14410 162.1
[M+K]+ 244.07344 148.1
[M+H-H2O]+ 188.10754 137.9
[M+HCOO]- 250.10848 163.9
[M+CH3COO]- 264.12413 182.6
[M+Na-2H]- 226.08495 149.7
[M]+ 205.10973 141.0
[M]- 205.11083 141.0
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