CID 9881394

153086-78-3

Structural Information

Molecular Formula

C₁₁H₂₄N₂O₄

SMILES

CC(C)(C)OC(=O)NCCOCCOCCN

InChI

InChI=1S/C11H24N2O4/c1-11(2,3)17-10(14)13-5-7-16-9-8-15-6-4-12/h4-9,12H2,1-3H3,(H,13,14)

InChIKey

OCUICOFGFQENAS-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1831
Patents: 248.17361 Da
Monoisotopic Mass: -0.3
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]+	249.18089	159.2
[M+Na]+	271.16283	164.4
[M+NH4]+	266.20743	163.6
[M+K]+	287.13677	161.4
[M-H]-	247.16633	156.6
[M+Na-2H]-	269.14828	159.5
[M]+	248.17306	158.6
[M]-	248.17416	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe