CID 6489

Acecarbromal

Structural Information

Molecular Formula

C₉H₁₅BrN₂O₃

SMILES

CCC(CC)(C(=O)NC(=O)NC(=O)C)Br

InChI

InChI=1S/C9H15BrN2O3/c1-4-9(10,5-2)7(14)12-8(15)11-6(3)13/h4-5H2,1-3H3,(H2,11,12,13,14,15)

InChIKey

SAZUGELZHZOXHB-UHFFFAOYSA-N

Compound name

N-(acetylcarbamoyl)-2-bromo-2-ethylbutanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 19719
Patents: 278.0266 Da
Monoisotopic Mass: 2.3
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]+	279.03388	154.5
[M+Na]+	301.01582	151.8
[M+NH4]+	296.06042	155.8
[M+K]+	316.98976	155.3
[M-H]-	277.01932	150.8
[M+Na-2H]-	299.00127	152.6
[M]+	278.02605	151.3
[M]-	278.02715	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe