CID 211427

23111-69-5

Structural Information

Molecular Formula
C12H23N3O4
SMILES
CCOC(=O)NCCN1CCN(CC1)C(=O)OCC
InChI
InChI=1S/C12H23N3O4/c1-3-18-11(16)13-5-6-14-7-9-15(10-8-14)12(17)19-4-2/h3-10H2,1-2H3,(H,13,16)
InChIKey
BXKNCMUUFRFHAX-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(ethoxycarbonylamino)ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.16885 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.17613 165.3
[M+Na]+ 296.15807 168.4
[M-H]- 272.16157 164.8
[M+NH4]+ 291.20267 178.3
[M+K]+ 312.13201 168.1
[M+H-H2O]+ 256.16611 156.7
[M+HCOO]- 318.16705 182.2
[M+CH3COO]- 332.18270 198.5
[M+Na-2H]- 294.14352 166.4
[M]+ 273.16830 165.4
[M]- 273.16940 165.4
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.