CID 3048224

63886-27-1

Structural Information

Molecular Formula
C16H22N2O2
SMILES
COC1=CC=C(C=C1)C2CCN(C2=O)N3CCCCC3
InChI
InChI=1S/C16H22N2O2/c1-20-14-7-5-13(6-8-14)15-9-12-18(16(15)19)17-10-3-2-4-11-17/h5-8,15H,2-4,9-12H2,1H3
InChIKey
CIKNZGNMQWZXJE-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1-piperidin-1-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 165.8
[M+Na]+ 297.15734 170.5
[M-H]- 273.16084 171.8
[M+NH4]+ 292.20194 180.4
[M+K]+ 313.13128 166.8
[M+H-H2O]+ 257.16538 156.1
[M+HCOO]- 319.16632 182.3
[M+CH3COO]- 333.18197 197.6
[M+Na-2H]- 295.14279 165.1
[M]+ 274.16757 160.8
[M]- 274.16867 160.8
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.