CID 11206373

128562-58-3

Structural Information

Molecular Formula

C₅H₁₀BrNO₂

SMILES

CN(C(=O)CCBr)OC

InChI

InChI=1S/C5H10BrNO2/c1-7(9-2)5(8)3-4-6/h3-4H2,1-2H3

InChIKey

HPAOGJIJRRDYPB-UHFFFAOYSA-N

Compound name

3-bromo-N-methoxy-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 194.98949 Da
Monoisotopic Mass: 0.5
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]+	195.99677	132.8
[M+Na]+	217.97871	133.3
[M+NH4]+	213.02331	136.9
[M+K]+	233.95265	135.1
[M-H]-	193.98221	131.3
[M+Na-2H]-	215.96416	133.9
[M]+	194.98894	131.0
[M]-	194.99004	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe