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: 115
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	153.3
[M+Na]+	251.10023	158.3
[M+NH4]+	246.14483	157.0
[M+K]+	267.07417	156.3
[M-H]-	227.10373	150.1
[M+Na-2H]-	249.08568	152.9
[M]+	228.11046	152.3
[M]-	228.11156	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe