CID 2824850

10131-48-3

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC1=NC(=C(C=C1)C(=O)N)C

InChI

InChI=1S/C8H10N2O/c1-5-3-4-7(8(9)11)6(2)10-5/h3-4H,1-2H3,(H2,9,11)

InChIKey

MPQHBWNDIOJYNP-UHFFFAOYSA-N

Compound name

2,6-dimethylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 318
Patents: 150.07932 Da
Monoisotopic Mass: 0.5
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]+	151.086596	130.1
[M+Na]+	173.068538	139.1
[M-H]-	149.072044	132.7
[M+NH4]+	168.113143	149.9
[M+K]+	189.042478	137.3
[M+H-H2O]+	133.076580	123.9
[M+HCOO]-	195.077521	153.6
[M+CH3COO]-	209.093171	179.3
[M+Na-2H]-	171.053986	135.5
[M]+	150.07877142	129.3
[M]-	150.07986858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe