CID 21430

5338-18-1

Structural Information

Molecular Formula

C₁₀H₁₇NO₅

SMILES

CC(=O)N(CCOC(=O)C)CCOC(=O)C

InChI

InChI=1S/C10H17NO5/c1-8(12)11(4-6-15-9(2)13)5-7-16-10(3)14/h4-7H2,1-3H3

InChIKey

JIPCOUYOBWRZJJ-UHFFFAOYSA-N

Compound name

2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 231.11067 Da
Monoisotopic Mass: -0.5
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]+	232.11795	151.7
[M+Na]+	254.09989	156.8
[M-H]-	230.10339	153.0
[M+NH4]+	249.14449	169.8
[M+K]+	270.07383	159.0
[M+H-H2O]+	214.10793	145.6
[M+HCOO]-	276.10887	174.6
[M+CH3COO]-	290.12452	195.5
[M+Na-2H]-	252.08534	152.7
[M]+	231.11012	158.0
[M]-	231.11122	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe