CID 104190263

3-bromo-n-ethyl-n-methylpropanamide

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

CCN(C)C(=O)CCBr

InChI

InChI=1S/C6H12BrNO/c1-3-8(2)6(9)4-5-7/h3-5H2,1-2H3

InChIKey

SDGBRVJTLBLOPL-UHFFFAOYSA-N

Compound name

3-bromo-N-ethyl-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 193.01022 Da
Monoisotopic Mass: 0.8
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]+	194.017496	135.5
[M+Na]+	215.999438	145.5
[M-H]-	192.002944	139.8
[M+NH4]+	211.044043	158.8
[M+K]+	231.973378	136.7
[M+H-H2O]+	176.007480	135.3
[M+HCOO]-	238.008421	157.5
[M+CH3COO]-	252.024071	187.0
[M+Na-2H]-	213.984886	141.7
[M]+	193.00967142	155.3
[M]-	193.01076858	155.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.