CID 202859

Propiophenone, 2-methyl-2-piperidino-, hydrochloride

Structural Information

Molecular Formula
C15H21NO
SMILES
CC(C)(C(=O)C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C15H21NO/c1-15(2,16-11-7-4-8-12-16)14(17)13-9-5-3-6-10-13/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
InChIKey
GCSDBSRRPSYHQU-UHFFFAOYSA-N
Compound name
2-methyl-1-phenyl-2-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

231.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 155.3
[M+Na]+ 254.151528 158.8
[M-H]- 230.155034 159.3
[M+NH4]+ 249.196133 171.2
[M+K]+ 270.125468 156.0
[M+H-H2O]+ 214.159570 147.5
[M+HCOO]- 276.160511 171.6
[M+CH3COO]- 290.176161 191.1
[M+Na-2H]- 252.136976 159.4
[M]+ 231.16176142 150.6
[M]- 231.16285858 150.6
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

patents stripe