CID 30262

2'-(2-piperidinoethoxy)butyrophenone hydrochloride

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCC(=O)C1=CC=CC=C1OCCN2CCCCC2
InChI
InChI=1S/C17H25NO2/c1-2-8-16(19)15-9-4-5-10-17(15)20-14-13-18-11-6-3-7-12-18/h4-5,9-10H,2-3,6-8,11-14H2,1H3
InChIKey
RACMIJRSKRLTFW-UHFFFAOYSA-N
Compound name
1-[2-(2-piperidin-1-ylethoxy)phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 167.9
[M+Na]+ 298.17776 170.8
[M-H]- 274.18126 171.4
[M+NH4]+ 293.22236 182.0
[M+K]+ 314.15170 167.6
[M+H-H2O]+ 258.18580 158.8
[M+HCOO]- 320.18674 185.1
[M+CH3COO]- 334.20239 199.8
[M+Na-2H]- 296.16321 169.3
[M]+ 275.18799 166.0
[M]- 275.18909 166.0
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.