CID 209953

Valerophenone, 2'-(2-piperidinoethoxy)-, hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCC(=O)C1=CC=CC=C1OCCN2CCCCC2
InChI
InChI=1S/C18H27NO2/c1-2-3-10-17(20)16-9-5-6-11-18(16)21-15-14-19-12-7-4-8-13-19/h5-6,9,11H,2-4,7-8,10,12-15H2,1H3
InChIKey
ZWJBNMHHMBKGRD-UHFFFAOYSA-N
Compound name
1-[2-(2-piperidin-1-ylethoxy)phenyl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 172.4
[M+Na]+ 312.19342 174.9
[M-H]- 288.19692 175.7
[M+NH4]+ 307.23802 185.9
[M+K]+ 328.16736 171.5
[M+H-H2O]+ 272.20146 163.1
[M+HCOO]- 334.20240 189.3
[M+CH3COO]- 348.21805 202.8
[M+Na-2H]- 310.17887 173.3
[M]+ 289.20365 170.9
[M]- 289.20475 170.9
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.