CID 113871

Propiophenone, 4'-sec-butoxy-3-piperidino-, hydrochloride

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCC(C)OC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C18H27NO2/c1-3-15(2)21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10,15H,3-6,11-14H2,1-2H3
InChIKey
YIGJYAZDJKAWPI-UHFFFAOYSA-N
Compound name
1-(4-butan-2-yloxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

289.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.211476 172.4
[M+Na]+ 312.193418 174.6
[M-H]- 288.196924 175.8
[M+NH4]+ 307.238023 185.8
[M+K]+ 328.167358 171.7
[M+H-H2O]+ 272.201460 163.3
[M+HCOO]- 334.202401 188.3
[M+CH3COO]- 348.218051 203.7
[M+Na-2H]- 310.178866 172.2
[M]+ 289.20365142 170.3
[M]- 289.20474858 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