CID 22029174

Tert-butyl 4-aminopiperazine-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₉N₃O₂

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)N

InChI

InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)11-4-6-12(10)7-5-11/h4-7,10H2,1-3H3

InChIKey

QMZFIRHRGPLKEV-UHFFFAOYSA-N

Compound name

tert-butyl 4-aminopiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 365
Patents: 201.14772 Da
Monoisotopic Mass: 0.2
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]+	202.15500	146.8
[M+Na]+	224.13694	154.8
[M+NH4]+	219.18154	152.7
[M+K]+	240.11088	151.7
[M-H]-	200.14044	145.9
[M+Na-2H]-	222.12239	149.4
[M]+	201.14717	147.2
[M]-	201.14827	147.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe