CID 2737134

1-(1-phenylethyl)piperazine

Structural Information

Molecular Formula
C12H18N2
SMILES
CC(C1=CC=CC=C1)N2CCNCC2
InChI
InChI=1S/C12H18N2/c1-11(12-5-3-2-4-6-12)14-9-7-13-8-10-14/h2-6,11,13H,7-10H2,1H3
InChIKey
PYBNQKSXWAIBKN-UHFFFAOYSA-N
Compound name
1-(1-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

883
Patents

190.147 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 145.2
[M+Na]+ 213.13622 148.8
[M-H]- 189.13972 146.3
[M+NH4]+ 208.18082 160.6
[M+K]+ 229.11016 145.3
[M+H-H2O]+ 173.14426 136.6
[M+HCOO]- 235.14520 160.7
[M+CH3COO]- 249.16085 155.3
[M+Na-2H]- 211.12167 149.7
[M]+ 190.14645 137.7
[M]- 190.14755 137.7
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