CID 115932

4-isobutoxy-beta-(1-piperidyl)propiophenone hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CC(C)COC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C18H27NO2/c1-15(2)14-21-17-8-6-16(7-9-17)18(20)10-13-19-11-4-3-5-12-19/h6-9,15H,3-5,10-14H2,1-2H3
InChIKey
ZOQKGTTZAAQHHZ-UHFFFAOYSA-N
Compound name
1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

289.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 172.4
[M+Na]+ 312.19342 174.6
[M-H]- 288.19692 175.8
[M+NH4]+ 307.23802 185.8
[M+K]+ 328.16736 171.7
[M+H-H2O]+ 272.20146 163.3
[M+HCOO]- 334.20240 188.3
[M+CH3COO]- 348.21805 203.7
[M+Na-2H]- 310.17887 172.2
[M]+ 289.20365 170.3
[M]- 289.20475 170.3
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