CID 547487

2-bromo-n,n,3-trimethylbutanamide

Structural Information

Molecular Formula

C₇H₁₄BrNO

SMILES

CC(C)C(C(=O)N(C)C)Br

InChI

InChI=1S/C7H14BrNO/c1-5(2)6(8)7(10)9(3)4/h5-6H,1-4H3

InChIKey

POEPTKGZCYUKLO-UHFFFAOYSA-N

Compound name

2-bromo-N,N,3-trimethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.02588 Da
Monoisotopic Mass: 1.9
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]+	208.03316	140.9
[M+Na]+	230.01510	150.2
[M-H]-	206.01860	145.3
[M+NH4]+	225.05970	163.6
[M+K]+	245.98904	141.9
[M+H-H2O]+	190.02314	140.6
[M+HCOO]-	252.02408	160.8
[M+CH3COO]-	266.03973	191.5
[M+Na-2H]-	228.00055	144.2
[M]+	207.02533	159.9
[M]-	207.02643	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.