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

105
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 151.3
[M+Na]+ 240.13589 154.7
[M-H]- 216.13939 155.0
[M+NH4]+ 235.18049 167.5
[M+K]+ 256.10983 151.7
[M+H-H2O]+ 200.14393 142.9
[M+HCOO]- 262.14487 169.4
[M+CH3COO]- 276.16052 187.7
[M+Na-2H]- 238.12134 155.1
[M]+ 217.14612 146.6
[M]- 217.14722 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.