CID 3057394

Piperazine, 4-methyl-1-(1-phenylbutyl)-, hydrochloride

Structural Information

Molecular Formula
C15H24N2
SMILES
CCCC(C1=CC=CC=C1)N2CCN(CC2)C
InChI
InChI=1S/C15H24N2/c1-3-7-15(14-8-5-4-6-9-14)17-12-10-16(2)11-13-17/h4-6,8-9,15H,3,7,10-13H2,1-2H3
InChIKey
VZJFAKROWYGDON-UHFFFAOYSA-N
Compound name
1-methyl-4-(1-phenylbutyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

232.19395 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.201226 158.2
[M+Na]+ 255.183168 161.9
[M-H]- 231.186674 160.6
[M+NH4]+ 250.227773 172.9
[M+K]+ 271.157108 158.5
[M+H-H2O]+ 215.191210 148.8
[M+HCOO]- 277.192151 174.2
[M+CH3COO]- 291.207801 193.4
[M+Na-2H]- 253.168616 160.8
[M]+ 232.19340142 154.0
[M]- 232.19449858 154.0
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