CID 30862

21937-63-3

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: 9
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	142.5
[M+Na]+	217.09475	148.8
[M-H]-	193.09825	145.9
[M+NH4]+	212.13935	160.8
[M+K]+	233.06869	148.8
[M+H-H2O]+	177.10279	134.9
[M+HCOO]-	239.10373	166.7
[M+CH3COO]-	253.11938	188.6
[M+Na-2H]-	215.08020	148.6
[M]+	194.10498	145.3
[M]-	194.10608	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe