CID 57657568

1104383-06-3

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₃

SMILES

CC1(C(=O)NCCN1C(=O)OC(C)(C)C)C

InChI

InChI=1S/C11H20N2O3/c1-10(2,3)16-9(15)13-7-6-12-8(14)11(13,4)5/h6-7H2,1-5H3,(H,12,14)

InChIKey

ADXBXIQTAQOYRW-UHFFFAOYSA-N

Compound name

tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 228.1474 Da
Monoisotopic Mass: 0.8
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]+	229.154676	152.9
[M+Na]+	251.136618	159.7
[M-H]-	227.140124	152.3
[M+NH4]+	246.181223	170.1
[M+K]+	267.110558	158.6
[M+H-H2O]+	211.144660	147.7
[M+HCOO]-	273.145601	166.9
[M+CH3COO]-	287.161251	186.7
[M+Na-2H]-	249.122066	156.5
[M]+	228.14685142	151.3
[M]-	228.14794858	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe