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 153.2
[M+Na]+ 281.12606 161.9
[M-H]- 257.12956 155.1
[M+NH4]+ 276.17066 165.1
[M+K]+ 297.10000 156.8
[M+H-H2O]+ 241.13410 138.2
[M+HCOO]- 303.13504 162.8
[M+CH3COO]- 317.15069 162.3
[M+Na-2H]- 279.11151 155.9
[M]+ 258.13629 146.0
[M]- 258.13739 146.0
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