CID 64833232

3-isobutyl-1-methylpiperazine

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CC(C)CC1CN(CCN1)C

InChI

InChI=1S/C9H20N2/c1-8(2)6-9-7-11(3)5-4-10-9/h8-10H,4-7H2,1-3H3

InChIKey

WOYCNJCWZDPJKK-UHFFFAOYSA-N

Compound name

1-methyl-3-(2-methylpropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 156.16264 Da
Monoisotopic Mass: 1.4
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]+	157.16992	139.8
[M+Na]+	179.15186	144.4
[M-H]-	155.15536	138.2
[M+NH4]+	174.19646	157.4
[M+K]+	195.12580	142.6
[M+H-H2O]+	139.15990	132.9
[M+HCOO]-	201.16084	154.8
[M+CH3COO]-	215.17649	177.2
[M+Na-2H]-	177.13731	142.5
[M]+	156.16209	134.2
[M]-	156.16319	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe