CID 18329348

245765-92-8

Structural Information

Molecular Formula

C₁₂H₁₇BrN₂O

SMILES

CC1=CC(=CN=C1N(C)C(=O)C(C)(C)C)Br

InChI

InChI=1S/C12H17BrN2O/c1-8-6-9(13)7-14-10(8)15(5)11(16)12(2,3)4/h6-7H,1-5H3

InChIKey

MKBZSCNCWLNWFH-UHFFFAOYSA-N

Compound name

N-(5-bromo-3-methylpyridin-2-yl)-N,2,2-trimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 284.05243 Da
Monoisotopic Mass: 3.0
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]+	285.05971	156.7
[M+Na]+	307.04165	167.6
[M-H]-	283.04515	163.3
[M+NH4]+	302.08625	175.9
[M+K]+	323.01559	157.6
[M+H-H2O]+	267.04969	155.7
[M+HCOO]-	329.05063	175.9
[M+CH3COO]-	343.06628	203.7
[M+Na-2H]-	305.02710	162.1
[M]+	284.05188	177.3
[M]-	284.05298	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe