CID 51340918

Aeea-aeea

Structural Information

Molecular Formula

C₁₂H₂₄N₂O₇

SMILES

C(COCCOCC(=O)NCCOCCOCC(=O)O)N

InChI

InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

InChIKey

YQZVQKYXWPIKIX-UHFFFAOYSA-N

Compound name

2-[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 373
Patents: 308.15836 Da
Monoisotopic Mass: -4.6
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]+	309.16564	170.9
[M+Na]+	331.14758	173.7
[M+NH4]+	326.19218	172.7
[M+K]+	347.12152	172.1
[M-H]-	307.15108	166.2
[M+Na-2H]-	329.13303	168.6
[M]+	308.15781	168.9
[M]-	308.15891	168.9

Literature stripe

literature stripe

Patent stripe

patents stripe