CID 225545

2-bromo-n,n-diethylacetamide

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

CCN(CC)C(=O)CBr

InChI

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

InChIKey

LHNPENNQGSGOTO-UHFFFAOYSA-N

Compound name

2-bromo-N,N-diethylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 480
Patents: 193.01022 Da
Monoisotopic Mass: 1.2
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]+	194.01750	135.5
[M+Na]+	215.99944	145.5
[M-H]-	192.00294	139.8
[M+NH4]+	211.04404	158.8
[M+K]+	231.97338	136.7
[M+H-H2O]+	176.00748	135.3
[M+HCOO]-	238.00842	157.5
[M+CH3COO]-	252.02407	187.0
[M+Na-2H]-	213.98489	141.7
[M]+	193.00967	155.3
[M]-	193.01077	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe