CID 18432746

Tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H26N4O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCNCC2
InChI
InChI=1S/C14H26N4O3/c1-14(2,3)21-13(20)18-10-8-17(9-11-18)12(19)16-6-4-15-5-7-16/h15H,4-11H2,1-3H3
InChIKey
RERBITYCANEVPA-UHFFFAOYSA-N
Compound name
tert-butyl 4-(piperazine-1-carbonyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

298.2005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.207776 176.2
[M+Na]+ 321.189718 177.8
[M-H]- 297.193224 174.1
[M+NH4]+ 316.234323 184.5
[M+K]+ 337.163658 175.6
[M+H-H2O]+ 281.197760 166.4
[M+HCOO]- 343.198701 182.4
[M+CH3COO]- 357.214351 197.5
[M+Na-2H]- 319.175166 175.7
[M]+ 298.19995142 168.1
[M]- 298.20104858 168.1
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