CID 11665453

183151-37-3

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CCOC(=O)CCC(=O)CN

InChI

InChI=1S/C7H13NO3/c1-2-11-7(10)4-3-6(9)5-8/h2-5,8H2,1H3

InChIKey

CWULDSIGYRKXFB-UHFFFAOYSA-N

Compound name

ethyl 5-amino-4-oxopentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 225
Patents: 159.08954 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]+	160.09682	134.9
[M+Na]+	182.07876	142.7
[M+NH4]+	177.12336	140.9
[M+K]+	198.05270	139.2
[M-H]-	158.08226	133.0
[M+Na-2H]-	180.06421	136.6
[M]+	159.08899	135.0
[M]-	159.09009	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe