CID 2736460

1-(2-ethylphenyl)piperazine

Structural Information

Molecular Formula
C12H18N2
SMILES
CCC1=CC=CC=C1N2CCNCC2
InChI
InChI=1S/C12H18N2/c1-2-11-5-3-4-6-12(11)14-9-7-13-8-10-14/h3-6,13H,2,7-10H2,1H3
InChIKey
LMQFWBCKQMNEEH-UHFFFAOYSA-N
Compound name
1-(2-ethylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

539
Patents

190.147 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 145.1
[M+Na]+ 213.13622 150.1
[M-H]- 189.13972 146.6
[M+NH4]+ 208.18082 161.0
[M+K]+ 229.11016 146.0
[M+H-H2O]+ 173.14426 136.7
[M+HCOO]- 235.14520 161.7
[M+CH3COO]- 249.16085 155.7
[M+Na-2H]- 211.12167 150.1
[M]+ 190.14645 138.7
[M]- 190.14755 138.7
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