CID 59397456

2098500-69-5

Structural Information

Molecular Formula

C₁₀H₂₁NO₄

SMILES

CC(C)(C)OC(=O)COCCOCCN

InChI

InChI=1S/C10H21NO4/c1-10(2,3)15-9(12)8-14-7-6-13-5-4-11/h4-8,11H2,1-3H3

InChIKey

WFBRWOZVLSLRSZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-[2-(2-aminoethoxy)ethoxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 219.14706 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]+	220.15434	152.3
[M+Na]+	242.13628	157.5
[M-H]-	218.13978	151.6
[M+NH4]+	237.18088	170.4
[M+K]+	258.11022	158.0
[M+H-H2O]+	202.14432	146.8
[M+HCOO]-	264.14526	173.8
[M+CH3COO]-	278.16091	190.3
[M+Na-2H]-	240.12173	156.0
[M]+	219.14651	157.1
[M]-	219.14761	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe