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: 271
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]+	180.001856	131.9
[M+Na]+	201.983798	141.9
[M-H]-	177.987304	135.0
[M+NH4]+	197.028403	155.0
[M+K]+	217.957738	132.4
[M+H-H2O]+	161.991840	132.0
[M+HCOO]-	223.992781	152.8
[M+CH3COO]-	238.008431	181.7
[M+Na-2H]-	199.969246	138.1
[M]+	178.99403142	149.5
[M]-	178.99512858	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe