CID 3043403

1-(3,4-methylenedioxybenzyl)-4-(2-propynyl)piperazine

Structural Information

Molecular Formula
C15H18N2O2
SMILES
C#CCN1CCN(CC1)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C15H18N2O2/c1-2-5-16-6-8-17(9-7-16)11-13-3-4-14-15(10-13)19-12-18-14/h1,3-4,10H,5-9,11-12H2
InChIKey
YCBCFXZNMNLQDY-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-prop-2-ynylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

258.13684 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.14412 164.2
[M+Na]+ 281.12606 176.2
[M+NH4]+ 276.17066 168.6
[M+K]+ 297.10000 168.0
[M-H]- 257.12956 160.9
[M+Na-2H]- 279.11151 165.0
[M]+ 258.13629 164.2
[M]- 258.13739 164.2
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

patents stripe