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: 394
Patents: 258.15796 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.16524	160.8
[M+Na]+	281.14718	167.9
[M+NH4]+	276.19178	165.0
[M+K]+	297.12112	165.7
[M-H]-	257.15068	157.7
[M+Na-2H]-	279.13263	161.5
[M]+	258.15741	160.4
[M]-	258.15851	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe