CID 20120297

4-[(3-aminophenyl)methyl]piperazin-2-one

Structural Information

Molecular Formula
C11H15N3O
SMILES
C1CN(CC(=O)N1)CC2=CC(=CC=C2)N
InChI
InChI=1S/C11H15N3O/c12-10-3-1-2-9(6-10)7-14-5-4-13-11(15)8-14/h1-3,6H,4-5,7-8,12H2,(H,13,15)
InChIKey
PXSLZAJVQONFLC-UHFFFAOYSA-N
Compound name
4-[(3-aminophenyl)methyl]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.1215 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.12878 147.0
[M+Na]+ 228.11072 158.5
[M+NH4]+ 223.15532 154.4
[M+K]+ 244.08466 152.3
[M-H]- 204.11422 149.8
[M+Na-2H]- 226.09617 153.4
[M]+ 205.12095 149.1
[M]- 205.12205 149.1
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.