CID 39372804

Tert-butyl 4-[2-(2-aminoethoxy)ethyl]piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H27N3O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCOCCN
InChI
InChI=1S/C13H27N3O3/c1-13(2,3)19-12(17)16-7-5-15(6-8-16)9-11-18-10-4-14/h4-11,14H2,1-3H3
InChIKey
IJKLSZPPVGIAHR-UHFFFAOYSA-N
Compound name
tert-butyl 4-[2-(2-aminoethoxy)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

273.20523 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21251 169.0
[M+Na]+ 296.19445 172.2
[M-H]- 272.19795 168.0
[M+NH4]+ 291.23905 182.1
[M+K]+ 312.16839 171.3
[M+H-H2O]+ 256.20249 161.1
[M+HCOO]- 318.20343 184.0
[M+CH3COO]- 332.21908 199.8
[M+Na-2H]- 294.17990 170.5
[M]+ 273.20468 168.0
[M]- 273.20578 168.0
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