CID 20361720

3-benzylpiperidin-4-one hydrochloride

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CNCC(C1=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12-6-7-13-9-11(12)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2
InChIKey
DOFKUHJXLCSYBS-UHFFFAOYSA-N
Compound name
3-benzylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

189.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 142.3
[M+Na]+ 212.104588 147.5
[M-H]- 188.108094 145.4
[M+NH4]+ 207.149193 159.5
[M+K]+ 228.078528 143.6
[M+H-H2O]+ 172.112630 134.8
[M+HCOO]- 234.113571 160.7
[M+CH3COO]- 248.129221 179.3
[M+Na-2H]- 210.090036 147.3
[M]+ 189.11482142 136.1
[M]- 189.11591858 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

literature stripe

Patent stripe

patents stripe