CID 5098792

1,4-di-tert-butyl-piperazine-2,5-dione

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)N1CC(=O)N(CC1=O)C(C)(C)C

InChI

InChI=1S/C12H22N2O2/c1-11(2,3)13-7-10(16)14(8-9(13)15)12(4,5)6/h7-8H2,1-6H3

InChIKey

GNSVHMBMVOMJBH-UHFFFAOYSA-N

Compound name

1,4-ditert-butylpiperazine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 226.16812 Da
Monoisotopic Mass: 1.0
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]+	227.17540	154.9
[M+Na]+	249.15734	164.6
[M+NH4]+	244.20194	160.6
[M+K]+	265.13128	160.9
[M-H]-	225.16084	153.3
[M+Na-2H]-	247.14279	157.3
[M]+	226.16757	155.6
[M]-	226.16867	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe