CID 57573745

789484-63-5

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C9H12N2O2/c1-11(2)6-8-4-3-7(5-10-8)9(12)13/h3-5H,6H2,1-2H3,(H,12,13)

InChIKey

CDFAQVRWSLLZSG-UHFFFAOYSA-N

Compound name

6-[(dimethylamino)methyl]pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 180.08987 Da
Monoisotopic Mass: -2.0
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]+	181.09715	138.2
[M+Na]+	203.07909	149.5
[M+NH4]+	198.12369	145.4
[M+K]+	219.05303	144.8
[M-H]-	179.08259	139.4
[M+Na-2H]-	201.06454	144.2
[M]+	180.08932	139.9
[M]-	180.09042	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe