CID 3017653

1,1-bis(n-acetylcarbamoyl)ethyl acetate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₆

SMILES

CC(=O)NC(=O)C(C)(C(=O)NC(=O)C)OC(=O)C

InChI

InChI=1S/C10H14N2O6/c1-5(13)11-8(16)10(4,18-7(3)15)9(17)12-6(2)14/h1-4H3,(H,11,13,16)(H,12,14,17)

InChIKey

VXVZLUGHWLVUEA-UHFFFAOYSA-N

Compound name

(1,3-diacetamido-2-methyl-1,3-dioxopropan-2-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 258.08517 Da
Monoisotopic Mass: -1.2
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]+	259.092446	153.7
[M+Na]+	281.074388	158.3
[M-H]-	257.077894	154.0
[M+NH4]+	276.118993	169.5
[M+K]+	297.048328	160.2
[M+H-H2O]+	241.082430	148.2
[M+HCOO]-	303.083371	174.3
[M+CH3COO]-	317.099021	198.6
[M+Na-2H]-	279.059836	154.6
[M]+	258.08462142	155.9
[M]-	258.08571858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe