CID 71748883

59303-37-6

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)CO
InChI
InChI=1S/C16H23NO2/c1-13(11-17-9-3-2-4-10-17)16(19)15-7-5-14(12-18)6-8-15/h5-8,13,18H,2-4,9-12H2,1H3
InChIKey
MBFHFUBFALKDKH-UHFFFAOYSA-N
Compound name
1-[4-(hydroxymethyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

172
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.7
[M+Na]+ 284.16210 166.4
[M-H]- 260.16560 166.1
[M+NH4]+ 279.20670 177.6
[M+K]+ 300.13604 163.1
[M+H-H2O]+ 244.17014 155.4
[M+HCOO]- 306.17108 178.8
[M+CH3COO]- 320.18673 195.2
[M+Na-2H]- 282.14755 164.1
[M]+ 261.17233 159.1
[M]- 261.17343 159.1
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

No patent data available for this compound.