CID 3021855

91703-07-0

Structural Information

Molecular Formula
C15H21N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)C3CCC(=O)N3
InChI
InChI=1S/C15H21N3O/c1-12-4-2-3-5-13(12)17-8-10-18(11-9-17)14-6-7-15(19)16-14/h2-5,14H,6-11H2,1H3,(H,16,19)
InChIKey
MGPCCNHRPSQWKY-UHFFFAOYSA-N
Compound name
5-[4-(2-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 163.8
[M+Na]+ 282.15768 168.6
[M-H]- 258.16118 167.1
[M+NH4]+ 277.20228 177.0
[M+K]+ 298.13162 163.5
[M+H-H2O]+ 242.16572 153.7
[M+HCOO]- 304.16666 177.6
[M+CH3COO]- 318.18231 172.9
[M+Na-2H]- 280.14313 162.9
[M]+ 259.16791 155.8
[M]- 259.16901 155.8
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

patents stripe