CID 22485439

4-benzylpiperidin-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CNC(=O)CC1CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12-9-11(6-7-13-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,13,14)
InChIKey
BIFDJPLEABLCKG-UHFFFAOYSA-N
Compound name
4-benzylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

189.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 142.3
[M+Na]+ 212.10459 147.5
[M-H]- 188.10809 145.4
[M+NH4]+ 207.14919 159.5
[M+K]+ 228.07853 143.6
[M+H-H2O]+ 172.11263 134.8
[M+HCOO]- 234.11357 160.7
[M+CH3COO]- 248.12922 179.3
[M+Na-2H]- 210.09004 147.3
[M]+ 189.11482 136.1
[M]- 189.11592 136.1
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