CID 3043407

1-isobutyl-4-piperonylpiperazine

Structural Information

Molecular Formula
C16H24N2O2
SMILES
CC(C)CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H24N2O2/c1-13(2)10-17-5-7-18(8-6-17)11-14-3-4-15-16(9-14)20-12-19-15/h3-4,9,13H,5-8,10-12H2,1-2H3
InChIKey
VWJJZYQGOKGMAT-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.18378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 167.8
[M+Na]+ 299.17300 172.5
[M-H]- 275.17650 172.6
[M+NH4]+ 294.21760 181.0
[M+K]+ 315.14694 171.4
[M+H-H2O]+ 259.18104 159.1
[M+HCOO]- 321.18198 181.1
[M+CH3COO]- 335.19763 177.7
[M+Na-2H]- 297.15845 169.3
[M]+ 276.18323 166.5
[M]- 276.18433 166.5
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