CID 796534

1-(3-phenylpropyl)piperazine

Structural Information

Molecular Formula
C13H20N2
SMILES
C1CN(CCN1)CCCC2=CC=CC=C2
InChI
InChI=1S/C13H20N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-3,5-6,14H,4,7-12H2
InChIKey
LOJCUYCKDGYLJH-UHFFFAOYSA-N
Compound name
1-(3-phenylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

350
Patents

204.16264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 149.3
[M+Na]+ 227.151858 152.8
[M-H]- 203.155364 150.1
[M+NH4]+ 222.196463 164.2
[M+K]+ 243.125798 148.5
[M+H-H2O]+ 187.159900 140.3
[M+HCOO]- 249.160841 165.5
[M+CH3COO]- 263.176491 182.8
[M+Na-2H]- 225.137306 154.5
[M]+ 204.16209142 142.8
[M]- 204.16318858 142.8
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