CID 165940565

Tert-butyl 4-(5-oxopiperazin-2-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H25N3O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CNC(=O)CN2
InChI
InChI=1S/C14H25N3O3/c1-14(2,3)20-13(19)17-6-4-10(5-7-17)11-8-16-12(18)9-15-11/h10-11,15H,4-9H2,1-3H3,(H,16,18)
InChIKey
FFEAJACNNVIWBI-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-oxopiperazin-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1896 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.19688 172.3
[M+Na]+ 306.17882 174.5
[M-H]- 282.18232 170.5
[M+NH4]+ 301.22342 182.2
[M+K]+ 322.15276 171.2
[M+H-H2O]+ 266.18686 163.8
[M+HCOO]- 328.18780 179.4
[M+CH3COO]- 342.20345 193.8
[M+Na-2H]- 304.16427 171.8
[M]+ 283.18905 163.1
[M]- 283.19015 163.1
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

No patent data available for this compound.