CID 197940

1-(4-phenyl-4-piperidyl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C14H19NO
SMILES
CCC(=O)C1(CCNCC1)C2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c1-2-13(16)14(8-10-15-11-9-14)12-6-4-3-5-7-12/h3-7,15H,2,8-11H2,1H3
InChIKey
JKRWYYCQYDMMBO-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperidin-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

91
Patents

217.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 152.3
[M+Na]+ 240.135888 156.3
[M-H]- 216.139394 155.1
[M+NH4]+ 235.180493 169.9
[M+K]+ 256.109828 152.7
[M+H-H2O]+ 200.143930 144.8
[M+HCOO]- 262.144871 169.0
[M+CH3COO]- 276.160521 184.7
[M+Na-2H]- 238.121336 156.7
[M]+ 217.14612142 146.1
[M]- 217.14721858 146.1
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