CID 2755940

108466-89-3

Structural Information

Molecular Formula

C₁₁H₂₁NO₆

SMILES

CC(C)(C)OC(=O)NCCOCCOCC(=O)O

InChI

InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

OMBVJVWVXRNDSL-UHFFFAOYSA-N

Compound name

2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 357
Patents: 263.1369 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]+	264.14418	160.2
[M+Na]+	286.12612	164.4
[M-H]-	262.12962	158.4
[M+NH4]+	281.17072	175.8
[M+K]+	302.10006	165.2
[M+H-H2O]+	246.13416	154.4
[M+HCOO]-	308.13510	180.2
[M+CH3COO]-	322.15075	195.0
[M+Na-2H]-	284.11157	163.1
[M]+	263.13635	165.9
[M]-	263.13745	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe