CID 46163

63990-51-2

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC(=O)C1=CC(=CC=C1)OCC(CN2CCCCC2)O
InChI
InChI=1S/C16H23NO3/c1-13(18)14-6-5-7-16(10-14)20-12-15(19)11-17-8-3-2-4-9-17/h5-7,10,15,19H,2-4,8-9,11-12H2,1H3
InChIKey
FPWIQSIIEYYWPP-UHFFFAOYSA-N
Compound name
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.6
[M+Na]+ 300.15702 169.2
[M-H]- 276.16052 169.0
[M+NH4]+ 295.20162 179.8
[M+K]+ 316.13096 166.5
[M+H-H2O]+ 260.16506 158.1
[M+HCOO]- 322.16600 181.9
[M+CH3COO]- 336.18165 197.3
[M+Na-2H]- 298.14247 167.1
[M]+ 277.16725 163.4
[M]- 277.16835 163.4
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.