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]+ 318.24275 181.0
[M+Na]+ 340.22469 183.3
[M-H]- 316.22819 184.4
[M+NH4]+ 335.26929 193.6
[M+K]+ 356.19863 180.0
[M+H-H2O]+ 300.23273 171.8
[M+HCOO]- 362.23367 196.2
[M+CH3COO]- 376.24932 210.8
[M+Na-2H]- 338.21014 179.0
[M]+ 317.23492 180.0
[M]- 317.23602 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.