CID 110648

5378-68-7

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1=CC=C(C=C1)N2CCC(C2=O)N3CCCCC3
InChI
InChI=1S/C16H22N2O/c1-13-5-7-14(8-6-13)18-12-9-15(16(18)19)17-10-3-2-4-11-17/h5-8,15H,2-4,9-12H2,1H3
InChIKey
WVIDHXRYTCCXBY-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-piperidin-1-ylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 162.9
[M+Na]+ 281.162438 167.7
[M-H]- 257.165944 168.9
[M+NH4]+ 276.207043 178.3
[M+K]+ 297.136378 163.5
[M+H-H2O]+ 241.170480 153.3
[M+HCOO]- 303.171421 179.2
[M+CH3COO]- 317.187071 173.1
[M+Na-2H]- 279.147886 162.1
[M]+ 258.17267142 156.5
[M]- 258.17376858 156.5
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.