CID 3064432

N-(2-bromoallyl)propionamide

Structural Information

Molecular Formula

C₆H₁₀BrNO

SMILES

CCC(=O)NCC(=C)Br

InChI

InChI=1S/C6H10BrNO/c1-3-6(9)8-4-5(2)7/h2-4H2,1H3,(H,8,9)

InChIKey

WWZPICKFNYFROH-UHFFFAOYSA-N

Compound name

N-(2-bromoprop-2-enyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.99458 Da
Monoisotopic Mass: 1.1
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]+	192.00186	134.7
[M+Na]+	213.98380	144.6
[M-H]-	189.98730	137.7
[M+NH4]+	209.02840	157.3
[M+K]+	229.95774	134.3
[M+H-H2O]+	173.99184	134.7
[M+HCOO]-	235.99278	155.5
[M+CH3COO]-	250.00843	183.6
[M+Na-2H]-	211.96925	140.5
[M]+	190.99403	152.1
[M]-	190.99513	152.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.