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]+ 219.185576 154.0
[M+Na]+ 241.167518 158.1
[M-H]- 217.171024 155.1
[M+NH4]+ 236.212123 168.7
[M+K]+ 257.141458 153.5
[M+H-H2O]+ 201.175560 145.1
[M+HCOO]- 263.176501 169.9
[M+CH3COO]- 277.192151 186.9
[M+Na-2H]- 239.152966 157.9
[M]+ 218.17775142 148.3
[M]- 218.17884858 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.