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: 5
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]+	211.107726	146.1
[M+Na]+	233.089668	152.8
[M-H]-	209.093174	147.9
[M+NH4]+	228.134273	163.0
[M+K]+	249.063608	152.1
[M+H-H2O]+	193.097710	138.8
[M+HCOO]-	255.098651	168.3
[M+CH3COO]-	269.114301	188.6
[M+Na-2H]-	231.075116	149.9
[M]+	210.09990142	147.7
[M]-	210.10099858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe