CID 3050865

67117-96-8

Structural Information

Molecular Formula

C₉H₁₅N₃O₃

SMILES

CC(C(=O)NCC(=O)N)N1CCCC1=O

InChI

InChI=1S/C9H15N3O3/c1-6(9(15)11-5-7(10)13)12-4-2-3-8(12)14/h6H,2-5H2,1H3,(H2,10,13)(H,11,15)

InChIKey

BLCAGFUPTVBLJY-UHFFFAOYSA-N

Compound name

N-(2-amino-2-oxoethyl)-2-(2-oxopyrrolidin-1-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.11134 Da
Monoisotopic Mass: -1.5
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]+	214.11862	148.2
[M+Na]+	236.10056	152.5
[M-H]-	212.10406	149.5
[M+NH4]+	231.14516	165.9
[M+K]+	252.07450	152.0
[M+H-H2O]+	196.10860	141.1
[M+HCOO]-	258.10954	168.9
[M+CH3COO]-	272.12519	190.8
[M+Na-2H]-	234.08601	147.6
[M]+	213.11079	144.4
[M]-	213.11189	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe