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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 154.2
[M+Na]+ 249.15734 161.7
[M-H]- 225.16084 155.2
[M+NH4]+ 244.20194 170.6
[M+K]+ 265.13128 160.4
[M+H-H2O]+ 209.16538 148.5
[M+HCOO]- 271.16632 168.5
[M+CH3COO]- 285.18197 192.2
[M+Na-2H]- 247.14279 157.7
[M]+ 226.16757 153.6
[M]- 226.16867 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe