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	156.7
[M+Na]+	259.14170	161.4
[M-H]-	235.14520	159.7
[M+NH4]+	254.18630	173.2
[M+K]+	275.11564	161.2
[M+H-H2O]+	219.14974	148.6
[M+HCOO]-	281.15068	178.9
[M+CH3COO]-	295.16633	198.5
[M+Na-2H]-	257.12715	159.9
[M]+	236.15193	159.9
[M]-	236.15303	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe