CID 19911473

1-(3-ethylphenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C12H18N2
SMILES
CCC1=CC(=CC=C1)N2CCNCC2
InChI
InChI=1S/C12H18N2/c1-2-11-4-3-5-12(10-11)14-8-6-13-7-9-14/h3-5,10,13H,2,6-9H2,1H3
InChIKey
JFZTZMUMBVJPFG-UHFFFAOYSA-N
Compound name
1-(3-ethylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

190.147 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.154276 145.1
[M+Na]+ 213.136218 150.1
[M-H]- 189.139724 146.6
[M+NH4]+ 208.180823 161.0
[M+K]+ 229.110158 146.0
[M+H-H2O]+ 173.144260 136.7
[M+HCOO]- 235.145201 161.7
[M+CH3COO]- 249.160851 155.7
[M+Na-2H]- 211.121666 150.1
[M]+ 190.14645142 138.7
[M]- 190.14754858 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

No literature data available for this compound.

Patent stripe

patents stripe