CID 70172

73-63-2

Structural Information

Molecular Formula
C14H19NO
SMILES
C1CCN(CC1)CCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H2
InChIKey
BIBARRYXKABQKJ-UHFFFAOYSA-N
Compound name
1-phenyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

51
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 152.5
[M+Na]+ 240.13589 164.7
[M+NH4]+ 235.18049 161.2
[M+K]+ 256.10983 156.9
[M-H]- 216.13939 156.2
[M+Na-2H]- 238.12134 160.1
[M]+ 217.14612 155.2
[M]- 217.14722 155.2
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