CID 30862

2-(dimethylamino)ethyl nicotinate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C10H14N2O2/c1-12(2)6-7-14-10(13)9-4-3-5-11-8-9/h3-5,8H,6-7H2,1-2H3

InChIKey

JNGIYILIWDVASL-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 194.10553 Da
Monoisotopic Mass: 1.0
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]+	195.11281	142.6
[M+Na]+	217.09475	153.8
[M+NH4]+	212.13935	150.0
[M+K]+	233.06869	148.4
[M-H]-	193.09825	144.2
[M+Na-2H]-	215.08020	149.2
[M]+	194.10498	144.4
[M]-	194.10608	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe