CID 64831569

1-benzyl-2-propylpiperazine

Structural Information

Molecular Formula
C14H22N2
SMILES
CCCC1CNCCN1CC2=CC=CC=C2
InChI
InChI=1S/C14H22N2/c1-2-6-14-11-15-9-10-16(14)12-13-7-4-3-5-8-13/h3-5,7-8,14-15H,2,6,9-12H2,1H3
InChIKey
KFDXSJIZRCQBIZ-UHFFFAOYSA-N
Compound name
1-benzyl-2-propylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.1783 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.18558 154.0
[M+Na]+ 241.16752 158.1
[M-H]- 217.17102 155.1
[M+NH4]+ 236.21212 168.7
[M+K]+ 257.14146 153.5
[M+H-H2O]+ 201.17556 145.1
[M+HCOO]- 263.17650 169.9
[M+CH3COO]- 277.19215 186.9
[M+Na-2H]- 239.15297 157.9
[M]+ 218.17775 148.3
[M]- 218.17885 148.3
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

No patent data available for this compound.