CID 23349309

224635-22-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

CCOC(=O)CCC1=NC=C(C=C1)N

InChI

InChI=1S/C10H14N2O2/c1-2-14-10(13)6-5-9-4-3-8(11)7-12-9/h3-4,7H,2,5-6,11H2,1H3

InChIKey

JPZMBHLSKTVDRF-UHFFFAOYSA-N

Compound name

ethyl 3-(5-aminopyridin-2-yl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 194.10553 Da
Monoisotopic Mass: 0.7
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]+	195.11281	142.9
[M+Na]+	217.09475	150.0
[M-H]-	193.09825	144.7
[M+NH4]+	212.13935	160.6
[M+K]+	233.06869	148.3
[M+H-H2O]+	177.10279	135.8
[M+HCOO]-	239.10373	166.0
[M+CH3COO]-	253.11938	185.6
[M+Na-2H]-	215.08020	148.0
[M]+	194.10498	143.8
[M]-	194.10608	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe