CID 204991

1-(beta-butoxy-m-chlorophenethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C17H26ClNO
SMILES
CCC(C)OC(CC1=CC(=CC=C1)Cl)N2CCCCC2
InChI
InChI=1S/C17H26ClNO/c1-3-14(2)20-17(19-10-5-4-6-11-19)13-15-8-7-9-16(18)12-15/h7-9,12,14,17H,3-6,10-11,13H2,1-2H3
InChIKey
KJAGUCBQFZCROU-UHFFFAOYSA-N
Compound name
1-[1-butan-2-yloxy-2-(3-chlorophenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1703 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17758 171.7
[M+Na]+ 318.15952 175.0
[M-H]- 294.16302 175.1
[M+NH4]+ 313.20412 186.0
[M+K]+ 334.13346 170.5
[M+H-H2O]+ 278.16756 163.5
[M+HCOO]- 340.16850 183.0
[M+CH3COO]- 354.18415 203.2
[M+Na-2H]- 316.14497 171.6
[M]+ 295.16975 170.7
[M]- 295.17085 170.7
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

No patent data available for this compound.