CID 79214

1-phenethylpiperazine

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CN(CCN1)CCC2=CC=CC=C2
InChI
InChI=1S/C12H18N2/c1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14/h1-5,13H,6-11H2
InChIKey
LKUAPSRIYZLAAO-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1642
Patents

190.147 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 144.9
[M+Na]+ 213.13622 148.8
[M-H]- 189.13972 145.9
[M+NH4]+ 208.18082 160.3
[M+K]+ 229.11016 144.8
[M+H-H2O]+ 173.14426 136.1
[M+HCOO]- 235.14520 161.4
[M+CH3COO]- 249.16085 155.1
[M+Na-2H]- 211.12167 150.6
[M]+ 190.14645 138.0
[M]- 190.14755 138.0
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