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

3
Patents

232.19395 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 158.2
[M+Na]+ 255.18317 161.9
[M-H]- 231.18667 160.6
[M+NH4]+ 250.22777 172.9
[M+K]+ 271.15711 158.5
[M+H-H2O]+ 215.19121 148.8
[M+HCOO]- 277.19215 174.2
[M+CH3COO]- 291.20780 193.4
[M+Na-2H]- 253.16862 160.8
[M]+ 232.19340 154.0
[M]- 232.19450 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