CID 413009

1-phenyl-4-piperidinone

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CN(CCC1=O)C2=CC=CC=C2
InChI
InChI=1S/C11H13NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
VPGLFNOKHAIGEC-UHFFFAOYSA-N
Compound name
1-phenylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

359
Patents

175.09972 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 137.2
[M+Na]+ 198.08894 143.2
[M-H]- 174.09244 141.8
[M+NH4]+ 193.13354 155.6
[M+K]+ 214.06288 140.5
[M+H-H2O]+ 158.09698 129.6
[M+HCOO]- 220.09792 157.4
[M+CH3COO]- 234.11357 178.9
[M+Na-2H]- 196.07439 143.2
[M]+ 175.09917 132.5
[M]- 175.10027 132.5
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