CID 3056746

Propiophenone, 4'-isopentyloxy-2'-methyl-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C20H31NO2
SMILES
CC1=C(C=CC(=C1)OCCC(C)C)C(=O)CCN2CCCCC2
InChI
InChI=1S/C20H31NO2/c1-16(2)10-14-23-18-7-8-19(17(3)15-18)20(22)9-13-21-11-5-4-6-12-21/h7-8,15-16H,4-6,9-14H2,1-3H3
InChIKey
WVIBBVDGKXLLSZ-UHFFFAOYSA-N
Compound name
1-[2-methyl-4-(3-methylbutoxy)phenyl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.23547 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.242746 181.0
[M+Na]+ 340.224688 183.3
[M-H]- 316.228194 184.4
[M+NH4]+ 335.269293 193.6
[M+K]+ 356.198628 180.0
[M+H-H2O]+ 300.232730 171.8
[M+HCOO]- 362.233671 196.2
[M+CH3COO]- 376.249321 210.8
[M+Na-2H]- 338.210136 179.0
[M]+ 317.23492142 180.0
[M]- 317.23601858 180.0
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.