CID 3016061

2-bromo-n,n-dimethylbutanamide

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

CCC(C(=O)N(C)C)Br

InChI

InChI=1S/C6H12BrNO/c1-4-5(7)6(9)8(2)3/h5H,4H2,1-3H3

InChIKey

NNWWOIPEHSLORU-UHFFFAOYSA-N

Compound name

2-bromo-N,N-dimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 193.01022 Da
Monoisotopic Mass: 1.4
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]+	194.017496	136.0
[M+Na]+	215.999438	145.8
[M-H]-	192.002944	140.4
[M+NH4]+	211.044043	159.2
[M+K]+	231.973378	137.4
[M+H-H2O]+	176.007480	135.8
[M+HCOO]-	238.008421	157.1
[M+CH3COO]-	252.024071	187.9
[M+Na-2H]-	213.984886	141.0
[M]+	193.00967142	155.2
[M]-	193.01076858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe