CID 11402671

1-tert-butyl 3-ethyl piperazine-1,3-dicarboxylate

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CCOC(=O)C1CN(CCN1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H22N2O4/c1-5-17-10(15)9-8-14(7-6-13-9)11(16)18-12(2,3)4/h9,13H,5-8H2,1-4H3
InChIKey
IQKOVLZJPVVLOZ-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-ethyl piperazine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

408
Patents

258.15796 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 161.9
[M+Na]+ 281.14718 166.0
[M-H]- 257.15068 160.4
[M+NH4]+ 276.19178 175.4
[M+K]+ 297.12112 165.4
[M+H-H2O]+ 241.15522 155.0
[M+HCOO]- 303.15616 174.8
[M+CH3COO]- 317.17181 191.3
[M+Na-2H]- 279.13263 163.1
[M]+ 258.15741 160.5
[M]- 258.15851 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe