CID 79432

5412-66-8

Structural Information

Molecular Formula

C₉H₁₇NO₄

SMILES

CCOC(=O)CN(C)CC(=O)OCC

InChI

InChI=1S/C9H17NO4/c1-4-13-8(11)6-10(3)7-9(12)14-5-2/h4-7H2,1-3H3

InChIKey

ODKKLRIGMTZMLI-UHFFFAOYSA-N

Compound name

ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 203.11575 Da
Monoisotopic Mass: 0.8
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]+	204.12303	146.0
[M+Na]+	226.10497	153.4
[M+NH4]+	221.14957	151.5
[M+K]+	242.07891	150.3
[M-H]-	202.10847	144.0
[M+Na-2H]-	224.09042	147.5
[M]+	203.11520	146.0
[M]-	203.11630	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe