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

40
Patents

298.2005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20778 176.2
[M+Na]+ 321.18972 177.8
[M-H]- 297.19322 174.1
[M+NH4]+ 316.23432 184.5
[M+K]+ 337.16366 175.6
[M+H-H2O]+ 281.19776 166.4
[M+HCOO]- 343.19870 182.4
[M+CH3COO]- 357.21435 197.5
[M+Na-2H]- 319.17517 175.7
[M]+ 298.19995 168.1
[M]- 298.20105 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