CID 65809172

6-bromo-n-cyclopropylpyridine-3-carboxamide

Structural Information

Molecular Formula

C₉H₉BrN₂O

SMILES

C1CC1NC(=O)C2=CN=C(C=C2)Br

InChI

InChI=1S/C9H9BrN2O/c10-8-4-1-6(5-11-8)9(13)12-7-2-3-7/h1,4-5,7H,2-3H2,(H,12,13)

InChIKey

KFWPVRXYVGDEOR-UHFFFAOYSA-N

Compound name

6-bromo-N-cyclopropylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 239.98982 Da
Monoisotopic Mass: 1.7
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]+	240.99710	144.6
[M+Na]+	262.97904	157.0
[M-H]-	238.98254	153.3
[M+NH4]+	258.02364	159.8
[M+K]+	278.95298	145.2
[M+H-H2O]+	222.98708	143.0
[M+HCOO]-	284.98802	166.4
[M+CH3COO]-	299.00367	192.7
[M+Na-2H]-	260.96449	152.4
[M]+	239.98927	163.5
[M]-	239.99037	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe