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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	277.191056	167.8
[M+Na]+	299.172998	172.5
[M-H]-	275.176504	172.6
[M+NH4]+	294.217603	181.0
[M+K]+	315.146938	171.4
[M+H-H2O]+	259.181040	159.1
[M+HCOO]-	321.181981	181.1
[M+CH3COO]-	335.197631	177.7
[M+Na-2H]-	297.158446	169.3
[M]+	276.18323142	166.5
[M]-	276.18432858	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe