CID 23112345

1-(3,3-dimethylbutyl)piperazine

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CC(C)(C)CCN1CCNCC1

InChI

InChI=1S/C10H22N2/c1-10(2,3)4-7-12-8-5-11-6-9-12/h11H,4-9H2,1-3H3

InChIKey

LFDFICUWQKREJW-UHFFFAOYSA-N

Compound name

1-(3,3-dimethylbutyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 170.1783 Da
Monoisotopic Mass: 1.7
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]+	171.18558	143.5
[M+Na]+	193.16752	153.2
[M+NH4]+	188.21212	151.1
[M+K]+	209.14146	147.4
[M-H]-	169.17102	143.4
[M+Na-2H]-	191.15297	147.6
[M]+	170.17775	144.7
[M]-	170.17885	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe