CID 17998949

(s)-1-benzyl-3-isobutylpiperazine

Structural Information

Molecular Formula
C15H24N2
SMILES
CC(C)C[C@H]1CN(CCN1)CC2=CC=CC=C2
InChI
InChI=1S/C15H24N2/c1-13(2)10-15-12-17(9-8-16-15)11-14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3/t15-/m0/s1
InChIKey
HQMROSCVRBNRRZ-HNNXBMFYSA-N
Compound name
(3S)-1-benzyl-3-(2-methylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
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 159.1
[M+Na]+ 255.18317 171.1
[M+NH4]+ 250.22777 167.3
[M+K]+ 271.15711 163.4
[M-H]- 231.18667 162.2
[M+Na-2H]- 253.16862 165.7
[M]+ 232.19340 161.6
[M]- 232.19450 161.6
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