CID 45099455

2580200-93-5

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CC(C)(C)C1CN(CCN1)C

InChI

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

InChIKey

JUYGOAGUPDFXFA-UHFFFAOYSA-N

Compound name

3-tert-butyl-1-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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	138.8
[M+Na]+	179.15186	149.1
[M+NH4]+	174.19646	146.7
[M+K]+	195.12580	143.7
[M-H]-	155.15536	138.9
[M+Na-2H]-	177.13731	143.0
[M]+	156.16209	140.1
[M]-	156.16319	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe