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

6
Patents

259.16846 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 163.8
[M+Na]+ 282.157678 168.6
[M-H]- 258.161184 167.1
[M+NH4]+ 277.202283 177.0
[M+K]+ 298.131618 163.5
[M+H-H2O]+ 242.165720 153.7
[M+HCOO]- 304.166661 177.6
[M+CH3COO]- 318.182311 172.9
[M+Na-2H]- 280.143126 162.9
[M]+ 259.16791142 155.8
[M]- 259.16900858 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