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: 40
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	133.2
[M+Na]+	217.97871	143.6
[M-H]-	193.98221	137.7
[M+NH4]+	213.02331	156.4
[M+K]+	233.95265	135.4
[M+H-H2O]+	177.98675	132.9
[M+HCOO]-	239.98769	155.8
[M+CH3COO]-	254.00334	186.0
[M+Na-2H]-	215.96416	140.0
[M]+	194.98894	154.1
[M]-	194.99004	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe