CID 81444

N,n-dimethylnicotinamide

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

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

InChI

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

InChIKey

FJEVKYZLIRAAKE-UHFFFAOYSA-N

Compound name

N,N-dimethylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1229
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	130.0
[M+Na]+	173.068538	137.2
[M-H]-	149.072044	133.8
[M+NH4]+	168.113143	150.2
[M+K]+	189.042478	137.2
[M+H-H2O]+	133.076580	123.1
[M+HCOO]-	195.077521	154.6
[M+CH3COO]-	209.093171	180.6
[M+Na-2H]-	171.053986	137.2
[M]+	150.07877142	130.6
[M]-	150.07986858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe