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

8
Patents

226.16812 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 154.2
[M+Na]+ 249.157338 161.7
[M-H]- 225.160844 155.2
[M+NH4]+ 244.201943 170.6
[M+K]+ 265.131278 160.4
[M+H-H2O]+ 209.165380 148.5
[M+HCOO]- 271.166321 168.5
[M+CH3COO]- 285.181971 192.2
[M+Na-2H]- 247.142786 157.7
[M]+ 226.16757142 153.6
[M]- 226.16866858 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