CID 35752

31189-06-7

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C16H21NO3/c1-12-7-9-17(10-8-12)16(19)11-20-15-5-3-14(4-6-15)13(2)18/h3-6,12H,7-11H2,1-2H3
InChIKey
AUVKAPTZKCQVPN-UHFFFAOYSA-N
Compound name
2-(4-acetylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 164.6
[M+Na]+ 298.14135 169.0
[M-H]- 274.14485 169.0
[M+NH4]+ 293.18595 179.0
[M+K]+ 314.11529 166.7
[M+H-H2O]+ 258.14939 156.2
[M+HCOO]- 320.15033 181.7
[M+CH3COO]- 334.16598 199.5
[M+Na-2H]- 296.12680 165.0
[M]+ 275.15158 163.0
[M]- 275.15268 163.0
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.