CID 3043405

55436-36-7

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CC(=C)CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H22N2O2/c1-13(2)10-17-5-7-18(8-6-17)11-14-3-4-15-16(9-14)20-12-19-15/h3-4,9H,1,5-8,10-12H2,2H3
InChIKey
VZSOCBMIIPXAMY-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylprop-2-enyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.17540 166.2
[M+Na]+ 297.15734 177.9
[M+NH4]+ 292.20194 173.9
[M+K]+ 313.13128 173.6
[M-H]- 273.16084 171.3
[M+Na-2H]- 295.14279 169.5
[M]+ 274.16757 169.2
[M]- 274.16867 169.2
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.