CID 64834611

1-benzyl-3-cyclopropylpiperazine

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC1C2CN(CCN2)CC3=CC=CC=C3
InChI
InChI=1S/C14H20N2/c1-2-4-12(5-3-1)10-16-9-8-15-14(11-16)13-6-7-13/h1-5,13-15H,6-11H2
InChIKey
VRHIEXKAIFVDFY-UHFFFAOYSA-N
Compound name
1-benzyl-3-cyclopropylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 154.0
[M+Na]+ 239.151858 160.1
[M-H]- 215.155364 159.0
[M+NH4]+ 234.196463 164.0
[M+K]+ 255.125798 155.1
[M+H-H2O]+ 199.159900 144.7
[M+HCOO]- 261.160841 170.9
[M+CH3COO]- 275.176491 163.8
[M+Na-2H]- 237.137306 158.1
[M]+ 216.16209142 149.4
[M]- 216.16318858 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.