CID 11789726

3-phenylpiperidin-2-one

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CC(C(=O)NC1)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c13-11-10(7-4-8-12-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,12,13)
InChIKey
XEQXBUHZDFKDDT-UHFFFAOYSA-N
Compound name
3-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

175.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.8
[M+Na]+ 198.08894 143.4
[M-H]- 174.09244 141.1
[M+NH4]+ 193.13354 155.5
[M+K]+ 214.06288 139.8
[M+H-H2O]+ 158.09698 130.5
[M+HCOO]- 220.09792 156.5
[M+CH3COO]- 234.11357 176.3
[M+Na-2H]- 196.07439 143.4
[M]+ 175.09917 131.3
[M]- 175.10027 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