CID 3157178

Tert-butyl 3-oxopiperazine-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₆N₂O₃

SMILES

CC(C)(C)OC(=O)N1CCNC(=O)C1

InChI

InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-5-4-10-7(12)6-11/h4-6H2,1-3H3,(H,10,12)

InChIKey

FCMLWBBLOASUSO-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxopiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2470
Patents: 200.11609 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]+	201.123366	146.3
[M+Na]+	223.105308	152.0
[M-H]-	199.108814	145.3
[M+NH4]+	218.149913	162.2
[M+K]+	239.079248	151.0
[M+H-H2O]+	183.113350	139.9
[M+HCOO]-	245.114291	160.9
[M+CH3COO]-	259.129941	179.9
[M+Na-2H]-	221.090756	150.0
[M]+	200.11554142	143.0
[M]-	200.11663858	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe