CID 73858

1471-94-9

Structural Information

Molecular Formula

C₁₀H₁₆N₂O₄

SMILES

CC(=O)CC(=O)NCCNC(=O)CC(=O)C

InChI

InChI=1S/C10H16N2O4/c1-7(13)5-9(15)11-3-4-12-10(16)6-8(2)14/h3-6H2,1-2H3,(H,11,15)(H,12,16)

InChIKey

KLZDEEDOBAPARF-UHFFFAOYSA-N

Compound name

3-oxo-N-[2-(3-oxobutanoylamino)ethyl]butanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 122
Patents: 228.11101 Da
Monoisotopic Mass: -1.4
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]+	229.11829	152.6
[M+Na]+	251.10023	156.6
[M-H]-	227.10373	152.4
[M+NH4]+	246.14483	169.6
[M+K]+	267.07417	156.8
[M+H-H2O]+	211.10827	146.3
[M+HCOO]-	273.10921	174.9
[M+CH3COO]-	287.12486	195.8
[M+Na-2H]-	249.08568	153.1
[M]+	228.11046	153.9
[M]-	228.11156	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe