CID 3050862

67117-93-5

Structural Information

Molecular Formula

C₁₂H₂₁N₃O₃

SMILES

CCC(C(=O)NCC(=O)N)N1C(=O)CCC1(C)C

InChI

InChI=1S/C12H21N3O3/c1-4-8(11(18)14-7-9(13)16)15-10(17)5-6-12(15,2)3/h8H,4-7H2,1-3H3,(H2,13,16)(H,14,18)

InChIKey

CTOBMVQXYRSGGP-UHFFFAOYSA-N

Compound name

N-(2-amino-2-oxoethyl)-2-(2,2-dimethyl-5-oxopyrrolidin-1-yl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 255.1583 Da
Monoisotopic Mass: -0.4
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]+	256.165576	159.1
[M+Na]+	278.147518	164.0
[M-H]-	254.151024	160.5
[M+NH4]+	273.192123	177.5
[M+K]+	294.121458	163.1
[M+H-H2O]+	238.155560	153.3
[M+HCOO]-	300.156501	178.8
[M+CH3COO]-	314.172151	200.6
[M+Na-2H]-	276.132966	157.9
[M]+	255.15775142	157.2
[M]-	255.15884858	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe