CID 130115205

N-(6-bromo-5-cyanopyridin-2-yl)-2,2-dimethylpropanamide

Structural Information

Molecular Formula

C₁₁H₁₂BrN₃O

SMILES

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

InChI

InChI=1S/C11H12BrN3O/c1-11(2,3)10(16)15-8-5-4-7(6-13)9(12)14-8/h4-5H,1-3H3,(H,14,15,16)

InChIKey

WMBUKEPXDBKMHI-UHFFFAOYSA-N

Compound name

N-(6-bromo-5-cyano-2-pyridinyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.01636 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]+	282.023636	154.7
[M+Na]+	304.005578	167.0
[M-H]-	280.009084	157.9
[M+NH4]+	299.050183	171.0
[M+K]+	319.979518	155.9
[M+H-H2O]+	264.013620	146.6
[M+HCOO]-	326.014561	172.4
[M+CH3COO]-	340.030211	208.9
[M+Na-2H]-	301.991026	160.3
[M]+	281.01581142	166.6
[M]-	281.01690858	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.