CID 57964

N-(2-bromoallyl)butyramide

Structural Information

Molecular Formula

C₇H₁₂BrNO

SMILES

CCCC(=O)NCC(=C)Br

InChI

InChI=1S/C7H12BrNO/c1-3-4-7(10)9-5-6(2)8/h2-5H2,1H3,(H,9,10)

InChIKey

JWWPHLSIHMJIIT-UHFFFAOYSA-N

Compound name

N-(2-bromoprop-2-enyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.01022 Da
Monoisotopic Mass: 1.5
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]+	206.01750	138.5
[M+Na]+	227.99944	138.6
[M+NH4]+	223.04404	142.2
[M+K]+	243.97338	139.6
[M-H]-	204.00294	136.6
[M+Na-2H]-	225.98489	138.8
[M]+	205.00967	136.4
[M]-	205.01077	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.