CID 3064056

101952-59-4

Structural Information

Molecular Formula

C₁₃H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-4-15(5-2)11(3)10-17-13(16)12-7-6-8-14-9-12/h6-9,11H,4-5,10H2,1-3H3

InChIKey

WRUOSYMLBPTVHM-UHFFFAOYSA-N

Compound name

2-(diethylamino)propyl pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.15248 Da
Monoisotopic Mass: 2.2
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]+	237.15976	155.8
[M+Na]+	259.14170	166.1
[M+NH4]+	254.18630	162.6
[M+K]+	275.11564	160.8
[M-H]-	235.14520	157.1
[M+Na-2H]-	257.12715	161.3
[M]+	236.15193	157.4
[M]-	236.15303	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe