CID 23033749

3-bromo-n,n-dimethylpropanamide

Structural Information

Molecular Formula

C₅H₁₀BrNO

SMILES

CN(C)C(=O)CCBr

InChI

InChI=1S/C5H10BrNO/c1-7(2)5(8)3-4-6/h3-4H2,1-2H3

InChIKey

WIERPGZIHZSEPY-UHFFFAOYSA-N

Compound name

3-bromo-N,N-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 178.99458 Da
Monoisotopic Mass: 0.4
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	130.8
[M+Na]+	201.983798	141.2
[M-H]-	177.987304	135.3
[M+NH4]+	197.028403	154.6
[M+K]+	217.957738	132.7
[M+H-H2O]+	161.991840	130.8
[M+HCOO]-	223.992781	153.1
[M+CH3COO]-	238.008431	184.2
[M+Na-2H]-	199.969246	137.6
[M]+	178.99403142	150.3
[M]-	178.99512858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe