CID 97269

51639-48-6

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(=O)C1=CC=C(C=C1)N2CCNCC2
InChI
InChI=1S/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKey
KPXVKKBJROCIJB-UHFFFAOYSA-N
Compound name
1-(4-piperazin-1-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1036
Patents

204.12627 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 147.9
[M+Na]+ 227.11549 160.1
[M+NH4]+ 222.16009 155.7
[M+K]+ 243.08943 153.6
[M-H]- 203.11899 150.4
[M+Na-2H]- 225.10094 154.7
[M]+ 204.12572 150.1
[M]- 204.12682 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe