CID 3043404

1-allyl-4-piperonylpiperazine

Structural Information

Molecular Formula
C15H20N2O2
SMILES
C=CCN1CCN(CC1)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H20N2O2/c1-2-5-16-6-8-17(9-7-16)11-13-3-4-14-15(10-13)19-12-18-14/h2-4,10H,1,5-9,11-12H2
InChIKey
DTCPUCVXFPNOGH-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-prop-2-enylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 162.0
[M+Na]+ 283.14169 174.3
[M+NH4]+ 278.18629 170.0
[M+K]+ 299.11563 169.3
[M-H]- 259.14519 167.3
[M+Na-2H]- 281.12714 165.8
[M]+ 260.15192 165.2
[M]- 260.15302 165.2
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.