CID 205876

Piperazine, 1-acetyl-4-phenyl-, hydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(=O)N1CCN(CC1)C2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c1-11(15)13-7-9-14(10-8-13)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKey
YFBOBXSXWBMZCY-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

268
Patents

204.12627 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.9
[M+Na]+ 227.11549 152.3
[M-H]- 203.11899 150.0
[M+NH4]+ 222.16009 162.8
[M+K]+ 243.08943 149.6
[M+H-H2O]+ 187.12353 138.2
[M+HCOO]- 249.12447 164.4
[M+CH3COO]- 263.14012 184.9
[M+Na-2H]- 225.10094 151.2
[M]+ 204.12572 142.4
[M]- 204.12682 142.4
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