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 166.8
[M+Na]+ 297.15734 171.8
[M-H]- 273.16084 171.6
[M+NH4]+ 292.20194 179.9
[M+K]+ 313.13128 170.1
[M+H-H2O]+ 257.16538 158.1
[M+HCOO]- 319.16632 180.3
[M+CH3COO]- 333.18197 176.8
[M+Na-2H]- 295.14279 168.3
[M]+ 274.16757 164.8
[M]- 274.16867 164.8
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.