CID 71650

Nicametate

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂

SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-3-14(4-2)8-9-16-12(15)11-6-5-7-13-10-11/h5-7,10H,3-4,8-9H2,1-2H3

InChIKey

JVWOCHRRAWHKLT-UHFFFAOYSA-N

Compound name

2-(diethylamino)ethyl pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 11
References: 2774
Patents: 222.13683 Da
Monoisotopic Mass: 1.7
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]+	223.144106	151.8
[M+Na]+	245.126048	157.3
[M-H]-	221.129554	154.9
[M+NH4]+	240.170653	169.0
[M+K]+	261.099988	156.7
[M+H-H2O]+	205.134090	143.8
[M+HCOO]-	267.135031	175.3
[M+CH3COO]-	281.150681	194.7
[M+Na-2H]-	243.111496	156.8
[M]+	222.13628142	155.3
[M]-	222.13737858	155.3

Literature stripe

literature stripe

Patent stripe

patents stripe