CID 14793782

1-[2-(4-methoxyphenyl)ethyl]piperidin-4-one

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC1=CC=C(C=C1)CCN2CCC(=O)CC2
InChI
InChI=1S/C14H19NO2/c1-17-14-4-2-12(3-5-14)6-9-15-10-7-13(16)8-11-15/h2-5H,6-11H2,1H3
InChIKey
BAPDJTACENRPEN-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)ethyl]piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 153.9
[M+Na]+ 256.130808 159.4
[M-H]- 232.134314 158.3
[M+NH4]+ 251.175413 170.2
[M+K]+ 272.104748 156.5
[M+H-H2O]+ 216.138850 145.6
[M+HCOO]- 278.139791 173.2
[M+CH3COO]- 292.155441 191.2
[M+Na-2H]- 254.116256 157.5
[M]+ 233.14104142 152.1
[M]- 233.14213858 152.1
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