CID 51340927

756525-95-8

Structural Information

Molecular Formula

C₁₁H₂₃NO₄

SMILES

CC(C)(C)OC(=O)CCOCCOCCN

InChI

InChI=1S/C11H23NO4/c1-11(2,3)16-10(13)4-6-14-8-9-15-7-5-12/h4-9,12H2,1-3H3

InChIKey

XIVHGTLMLORWEP-UHFFFAOYSA-N

Compound name

tert-butyl 3-[2-(2-aminoethoxy)ethoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 501
Patents: 233.1627 Da
Monoisotopic Mass: -0.2
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]+	234.16998	155.4
[M+Na]+	256.15192	161.9
[M+NH4]+	251.19652	160.3
[M+K]+	272.12586	158.5
[M-H]-	232.15542	152.6
[M+Na-2H]-	254.13737	156.0
[M]+	233.16215	155.1
[M]-	233.16325	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe