CID 4438995

3-benzylpiperidin-2-one

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC(C(=O)NC1)CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12-11(7-4-8-13-12)9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKey
XVRZLXVKQFICTC-UHFFFAOYSA-N
Compound name
3-benzylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

189.11537 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 143.7
[M+Na]+ 212.10459 156.5
[M+NH4]+ 207.14919 152.5
[M+K]+ 228.07853 148.9
[M-H]- 188.10809 147.3
[M+Na-2H]- 210.09004 151.4
[M]+ 189.11482 146.4
[M]- 189.11592 146.4
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