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
2
Annotation Hits

0
References

72
Patents

217.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 152.3
[M+Na]+ 240.13589 156.3
[M-H]- 216.13939 155.1
[M+NH4]+ 235.18049 169.9
[M+K]+ 256.10983 152.7
[M+H-H2O]+ 200.14393 144.8
[M+HCOO]- 262.14487 169.0
[M+CH3COO]- 276.16052 184.7
[M+Na-2H]- 238.12134 156.7
[M]+ 217.14612 146.1
[M]- 217.14722 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