CID 42553022

446299-84-9

Structural Information

Molecular Formula

C₁₁H₁₅BrN₂O

SMILES

CC1=CC(=CN=C1NC(=O)C(C)(C)C)Br

InChI

InChI=1S/C11H15BrN2O/c1-7-5-8(12)6-13-9(7)14-10(15)11(2,3)4/h5-6H,1-4H3,(H,13,14,15)

InChIKey

DJAJPKVIGCOGCY-UHFFFAOYSA-N

Compound name

N-(5-bromo-3-methyl-2-pyridinyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.03677 Da
Monoisotopic Mass: 2.8
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]+	271.044046	153.4
[M+Na]+	293.025988	164.5
[M-H]-	269.029494	158.7
[M+NH4]+	288.070593	172.5
[M+K]+	308.999928	153.3
[M+H-H2O]+	253.034030	152.6
[M+HCOO]-	315.034971	172.4
[M+CH3COO]-	329.050621	197.6
[M+Na-2H]-	291.011436	159.8
[M]+	270.03622142	172.4
[M]-	270.03731858	172.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe