CID 414350

1-(4-phenylpiperidin-4-yl)butan-1-one hydrochloride

Structural Information

Molecular Formula
C15H21NO
SMILES
CCCC(=O)C1(CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c1-2-6-14(17)15(9-11-16-12-10-15)13-7-4-3-5-8-13/h3-5,7-8,16H,2,6,9-12H2,1H3
InChIKey
QXFLUZNRIHBZHA-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperidin-4-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

231.16231 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 156.8
[M+Na]+ 254.151528 160.3
[M-H]- 230.155034 159.3
[M+NH4]+ 249.196133 173.8
[M+K]+ 270.125468 156.5
[M+H-H2O]+ 214.159570 149.1
[M+HCOO]- 276.160511 173.1
[M+CH3COO]- 290.176161 187.7
[M+Na-2H]- 252.136976 160.6
[M]+ 231.16176142 150.9
[M]- 231.16285858 150.9
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

patents stripe