CID 19007104

1-(3-chlorophenethyl)piperazine

Structural Information

Molecular Formula
C12H17ClN2
SMILES
C1CN(CCN1)CCC2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H17ClN2/c13-12-3-1-2-11(10-12)4-7-15-8-5-14-6-9-15/h1-3,10,14H,4-9H2
InChIKey
CLKQGHYYLMDFID-UHFFFAOYSA-N
Compound name
1-[2-(3-chlorophenyl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

224.10803 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11531 151.0
[M+Na]+ 247.09725 156.6
[M-H]- 223.10075 152.1
[M+NH4]+ 242.14185 166.2
[M+K]+ 263.07119 150.8
[M+H-H2O]+ 207.10529 142.8
[M+HCOO]- 269.10623 162.8
[M+CH3COO]- 283.12188 161.1
[M+Na-2H]- 245.08270 155.4
[M]+ 224.10748 146.4
[M]- 224.10858 146.4
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