CID 214222

Propiophenone, 2',4'-dimethyl-3-piperidino-, hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₃NO

SMILES

CC1=CC(=C(C=C1)C(=O)CCN2CCCCC2)C

InChI

InChI=1S/C16H23NO/c1-13-6-7-15(14(2)12-13)16(18)8-11-17-9-4-3-5-10-17/h6-7,12H,3-5,8-11H2,1-2H3

InChIKey

KFJVRBCOHIKPCK-UHFFFAOYSA-N

Compound name

1-(2,4-dimethylphenyl)-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 245.17796 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.185236	159.7
[M+Na]+	268.167178	164.2
[M-H]-	244.170684	163.9
[M+NH4]+	263.211783	175.5
[M+K]+	284.141118	160.8
[M+H-H2O]+	228.175220	151.5
[M+HCOO]-	290.176161	177.2
[M+CH3COO]-	304.191811	196.0
[M+Na-2H]-	266.152626	161.1
[M]+	245.17741142	156.6
[M]-	245.17850858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe