CID 287560

2-bromo-n,2-dimethylpropanamide

Structural Information

Molecular Formula

C₅H₁₀BrNO

SMILES

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

InChI

InChI=1S/C5H10BrNO/c1-5(2,6)4(8)7-3/h1-3H3,(H,7,8)

InChIKey

JJDUHFSDEPSCOX-UHFFFAOYSA-N

Compound name

2-bromo-N,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 254
Patents: 178.99458 Da
Monoisotopic Mass: 0.9
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]+	180.001856	131.6
[M+Na]+	201.983798	142.3
[M-H]-	177.987304	135.0
[M+NH4]+	197.028403	155.0
[M+K]+	217.957738	132.7
[M+H-H2O]+	161.991840	132.3
[M+HCOO]-	223.992781	152.0
[M+CH3COO]-	238.008431	181.1
[M+Na-2H]-	199.969246	139.6
[M]+	178.99403142	149.4
[M]-	178.99512858	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe