CID 2873918

2-phenyl-1-(piperazin-1-yl)ethanone hydrochloride

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CN(CCN1)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C12H16N2O/c15-12(14-8-6-13-7-9-14)10-11-4-2-1-3-5-11/h1-5,13H,6-10H2
InChIKey
ZIZWHGCVLFSQBP-UHFFFAOYSA-N
Compound name
2-phenyl-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

148
Patents

204.12627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 148.4
[M+Na]+ 227.11549 160.2
[M+NH4]+ 222.16009 156.2
[M+K]+ 243.08943 153.5
[M-H]- 203.11899 150.8
[M+Na-2H]- 225.10094 155.4
[M]+ 204.12572 150.5
[M]- 204.12682 150.5
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