CID 13610001

1-benzyl-4-hydroxypiperidin-2-one

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CN(C(=O)CC1O)CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO2/c14-11-6-7-13(12(15)8-11)9-10-4-2-1-3-5-10/h1-5,11,14H,6-9H2
InChIKey
MSOZDGCODQNTAR-UHFFFAOYSA-N
Compound name
1-benzyl-4-hydroxypiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.4
[M+Na]+ 228.09950 159.1
[M+NH4]+ 223.14410 154.6
[M+K]+ 244.07344 152.3
[M-H]- 204.10300 149.5
[M+Na-2H]- 226.08495 153.4
[M]+ 205.10973 148.9
[M]- 205.11083 148.9
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