CID 5170076

1-benzyl-2-piperidone

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CCN(C(=O)C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12-8-4-5-9-13(12)10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2
InChIKey
MLEGMEBCXGDFQT-UHFFFAOYSA-N
Compound name
1-benzylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1125
Patents

189.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 141.8
[M+Na]+ 212.10459 147.3
[M-H]- 188.10809 146.2
[M+NH4]+ 207.14919 159.6
[M+K]+ 228.07853 144.4
[M+H-H2O]+ 172.11263 133.9
[M+HCOO]- 234.11357 161.6
[M+CH3COO]- 248.12922 182.0
[M+Na-2H]- 210.09004 147.2
[M]+ 189.11482 137.4
[M]- 189.11592 137.4
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