CID 12509261

2-bromo-n-isopropylacetamide

Structural Information

Molecular Formula

C₅H₁₀BrNO

SMILES

CC(C)NC(=O)CBr

InChI

InChI=1S/C5H10BrNO/c1-4(2)7-5(8)3-6/h4H,3H2,1-2H3,(H,7,8)

InChIKey

ZLDCRYWMEQJDGW-UHFFFAOYSA-N

Compound name

2-bromo-N-propan-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 303
Patents: 178.99458 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]+	180.00186	131.9
[M+Na]+	201.98380	141.9
[M-H]-	177.98730	135.0
[M+NH4]+	197.02840	155.0
[M+K]+	217.95774	132.4
[M+H-H2O]+	161.99184	132.0
[M+HCOO]-	223.99278	152.8
[M+CH3COO]-	238.00843	181.7
[M+Na-2H]-	199.96925	138.1
[M]+	178.99403	149.5
[M]-	178.99513	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe