CID 17998949

444892-03-9

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

47
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 158.7
[M+Na]+ 255.18317 162.0
[M-H]- 231.18667 159.7
[M+NH4]+ 250.22777 172.7
[M+K]+ 271.15711 157.7
[M+H-H2O]+ 215.19121 149.7
[M+HCOO]- 277.19215 173.2
[M+CH3COO]- 291.20780 190.8
[M+Na-2H]- 253.16862 160.8
[M]+ 232.19340 152.6
[M]- 232.19450 152.6
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