CID 11947944

3-phenylpiperidin-4-one hydrochloride

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CNCC(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c13-11-6-7-12-8-10(11)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKey
GCSFYHTYULPVGT-UHFFFAOYSA-N
Compound name
3-phenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

175.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 137.8
[M+Na]+ 198.088938 143.4
[M-H]- 174.092444 141.1
[M+NH4]+ 193.133543 155.5
[M+K]+ 214.062878 139.8
[M+H-H2O]+ 158.096980 130.5
[M+HCOO]- 220.097921 156.5
[M+CH3COO]- 234.113571 176.3
[M+Na-2H]- 196.074386 143.4
[M]+ 175.09917142 131.3
[M]- 175.10026858 131.3
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