CID 53973455

166388-52-9

Structural Information

Molecular Formula

C₁₃H₂₆N₂O₄

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCOCCO

InChI

InChI=1S/C13H26N2O4/c1-13(2,3)19-12(17)15-6-4-14(5-7-15)8-10-18-11-9-16/h16H,4-11H2,1-3H3

InChIKey

JTFRLUUZUYTSRT-UHFFFAOYSA-N

Compound name

tert-butyl 4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 274.18927 Da
Monoisotopic Mass: 0.1
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]+	275.19655	166.4
[M+Na]+	297.17849	173.6
[M+NH4]+	292.22309	170.8
[M+K]+	313.15243	170.4
[M-H]-	273.18199	163.7
[M+Na-2H]-	295.16394	167.3
[M]+	274.18872	166.2
[M]-	274.18982	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe