CID 68195779

1266227-13-7

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂O

SMILES

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

InChI

InChI=1S/C10H13BrN2O/c1-7(2)3-10(14)13-9-4-8(11)5-12-6-9/h4-7H,3H2,1-2H3,(H,13,14)

InChIKey

UQWKEKGLIOPWDO-UHFFFAOYSA-N

Compound name

N-(5-bromopyridin-3-yl)-3-methylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 270
Patents: 256.02112 Da
Monoisotopic Mass: 2.0
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]+	257.02840	148.8
[M+Na]+	279.01034	158.7
[M-H]-	255.01384	153.6
[M+NH4]+	274.05494	167.9
[M+K]+	294.98428	147.8
[M+H-H2O]+	239.01838	147.4
[M+HCOO]-	301.01932	168.7
[M+CH3COO]-	315.03497	194.8
[M+Na-2H]-	276.99579	154.7
[M]+	256.02057	167.1
[M]-	256.02167	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe