CID 3086673

Pegorgotein

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

COCCOC(=O)CCC(=O)N

InChI

InChI=1S/C7H13NO4/c1-11-4-5-12-7(10)3-2-6(8)9/h2-5H2,1H3,(H2,8,9)

InChIKey

VJDVWBDSMDTODO-UHFFFAOYSA-N

Compound name

2-methoxyethyl 4-amino-4-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 151
References: 475
Patents: 175.08446 Da
Monoisotopic Mass: -1.3
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]+	176.09174	137.7
[M+Na]+	198.07368	145.0
[M+NH4]+	193.11828	143.1
[M+K]+	214.04762	142.0
[M-H]-	174.07718	135.3
[M+Na-2H]-	196.05913	138.9
[M]+	175.08391	137.4
[M]-	175.08501	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe