CID 12475644

2-bromo-n,n,2-trimethylpropanamide

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

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

InChI

InChI=1S/C6H12BrNO/c1-6(2,7)5(9)8(3)4/h1-4H3

InChIKey

CNUHUXQSZVLAGL-UHFFFAOYSA-N

Compound name

2-bromo-N,N,2-trimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 193.01022 Da
Monoisotopic Mass: 1.1
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	135.2
[M+Na]+	215.99944	145.8
[M-H]-	192.00294	139.9
[M+NH4]+	211.04404	158.7
[M+K]+	231.97338	137.3
[M+H-H2O]+	176.00748	135.7
[M+HCOO]-	238.00842	155.9
[M+CH3COO]-	252.02407	187.3
[M+Na-2H]-	213.98489	142.1
[M]+	193.00967	154.7
[M]-	193.01077	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe