CID 21696861

288083-60-3

Structural Information

Molecular Formula

C₉H₁₀N₂O₃

SMILES

CN(C)C(=O)C1=NC=C(C=C1)C(=O)O

InChI

InChI=1S/C9H10N2O3/c1-11(2)8(12)7-4-3-6(5-10-7)9(13)14/h3-5H,1-2H3,(H,13,14)

InChIKey

SDZYBFWUMWGSNG-UHFFFAOYSA-N

Compound name

6-(dimethylcarbamoyl)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 194.06914 Da
Monoisotopic Mass: 0.2
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]+	195.07642	140.4
[M+Na]+	217.05836	150.8
[M+NH4]+	212.10296	146.6
[M+K]+	233.03230	147.5
[M-H]-	193.06186	140.5
[M+Na-2H]-	215.04381	145.4
[M]+	194.06859	141.5
[M]-	194.06969	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe