CID 3021866

5-(4-(3-methylphenyl)piperazin-1-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C3CCC(=O)N3
InChI
InChI=1S/C15H21N3O/c1-12-3-2-4-13(11-12)17-7-9-18(10-8-17)14-5-6-15(19)16-14/h2-4,11,14H,5-10H2,1H3,(H,16,19)
InChIKey
KBKLRUPXGOHQJC-UHFFFAOYSA-N
Compound name
5-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.16846 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 164.2
[M+Na]+ 282.15768 175.8
[M+NH4]+ 277.20228 171.6
[M+K]+ 298.13162 170.8
[M-H]- 258.16118 167.6
[M+Na-2H]- 280.14313 170.1
[M]+ 259.16791 166.5
[M]- 259.16901 166.5
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

patents stripe