CID 10535

Carbromide

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

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

InChI

InChI=1S/C6H12BrNO/c1-3-6(7,4-2)5(8)9/h3-4H2,1-2H3,(H2,8,9)

InChIKey

ACEYAMOAGUDVAQ-UHFFFAOYSA-N

Compound name

2-bromo-2-ethylbutanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 334
Patents: 193.01022 Da
Monoisotopic Mass: 1.6
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]+	194.017496	137.0
[M+Na]+	215.999438	147.2
[M-H]-	192.002944	139.6
[M+NH4]+	211.044043	159.4
[M+K]+	231.973378	136.9
[M+H-H2O]+	176.007480	137.4
[M+HCOO]-	238.008421	156.4
[M+CH3COO]-	252.024071	183.9
[M+Na-2H]-	213.984886	143.3
[M]+	193.00967142	154.2
[M]-	193.01076858	154.2

Literature stripe

literature stripe

Patent stripe

patents stripe