CID 165893474

2639462-17-0

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃

SMILES

CC(COC1=CC=CC(=N1)C(=O)OC)N

InChI

InChI=1S/C10H14N2O3/c1-7(11)6-15-9-5-3-4-8(12-9)10(13)14-2/h3-5,7H,6,11H2,1-2H3

InChIKey

YOWZOLLCBWVHRM-UHFFFAOYSA-N

Compound name

methyl 6-(2-aminopropoxy)pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 210.10045 Da
Monoisotopic Mass: 0.8
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]+	211.10773	145.9
[M+Na]+	233.08967	156.2
[M+NH4]+	228.13427	152.2
[M+K]+	249.06361	152.1
[M-H]-	209.09317	146.3
[M+Na-2H]-	231.07512	150.7
[M]+	210.09990	147.1
[M]-	210.10100	147.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe