CID 155819782

2470436-59-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

COC(=O)C1=CN=CC(=C1)CCCN

InChI

InChI=1S/C10H14N2O2/c1-14-10(13)9-5-8(3-2-4-11)6-12-7-9/h5-7H,2-4,11H2,1H3

InChIKey

NURRCPJVHSYPSC-UHFFFAOYSA-N

Compound name

methyl 5-(3-aminopropyl)pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 194.10553 Da
Monoisotopic Mass: 0.4
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]+	195.112806	142.9
[M+Na]+	217.094748	150.0
[M-H]-	193.098254	144.7
[M+NH4]+	212.139353	160.6
[M+K]+	233.068688	148.3
[M+H-H2O]+	177.102790	135.8
[M+HCOO]-	239.103731	166.0
[M+CH3COO]-	253.119381	185.6
[M+Na-2H]-	215.080196	148.0
[M]+	194.10498142	143.8
[M]-	194.10607858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.