CID 15461537

182344-63-4

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O

SMILES

CC(C)(C)C(=O)NC1=NC=C(C=C1)Br

InChI

InChI=1S/C10H13BrN2O/c1-10(2,3)9(14)13-8-5-4-7(11)6-12-8/h4-6H,1-3H3,(H,12,13,14)

InChIKey

LHJMFFKVXROWOC-UHFFFAOYSA-N

Compound name

N-(5-bromopyridin-2-yl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 256.02112 Da
Monoisotopic Mass: 2.5
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]+	257.02840	149.3
[M+Na]+	279.01034	160.0
[M-H]-	255.01384	154.5
[M+NH4]+	274.05494	168.7
[M+K]+	294.98428	149.1
[M+H-H2O]+	239.01838	148.6
[M+HCOO]-	301.01932	168.7
[M+CH3COO]-	315.03497	193.7
[M+Na-2H]-	276.99579	157.0
[M]+	256.02057	167.7
[M]-	256.02167	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe