CID 54594903

1-benzyl-2,5-diethylpiperazine

Structural Information

Molecular Formula
C15H24N2
SMILES
CCC1CNC(CN1CC2=CC=CC=C2)CC
InChI
InChI=1S/C15H24N2/c1-3-14-12-17(15(4-2)10-16-14)11-13-8-6-5-7-9-13/h5-9,14-16H,3-4,10-12H2,1-2H3
InChIKey
OGTGPQVLSNVPIB-UHFFFAOYSA-N
Compound name
1-benzyl-2,5-diethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.19395 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.20123 158.7
[M+Na]+ 255.18317 163.3
[M-H]- 231.18667 160.0
[M+NH4]+ 250.22777 173.1
[M+K]+ 271.15711 158.5
[M+H-H2O]+ 215.19121 149.8
[M+HCOO]- 277.19215 174.2
[M+CH3COO]- 291.20780 191.0
[M+Na-2H]- 253.16862 161.2
[M]+ 232.19340 153.7
[M]- 232.19450 153.7
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