CID 3180

Dyclonine

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2
InChI
InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3
InChIKey
BZEWSEKUUPWQDQ-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

101
References

10004
Patents

289.2042 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 172.8
[M+Na]+ 312.19342 184.1
[M+NH4]+ 307.23802 180.3
[M+K]+ 328.16736 176.2
[M-H]- 288.19692 176.0
[M+Na-2H]- 310.17887 178.7
[M]+ 289.20365 175.2
[M]- 289.20475 175.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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