CID 3071120

87330-70-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

C1=CC(=CN=C1)C(=O)OCCN

InChI

InChI=1S/C8H10N2O2/c9-3-5-12-8(11)7-2-1-4-10-6-7/h1-2,4,6H,3,5,9H2

InChIKey

JYMSVNHODSJOPS-UHFFFAOYSA-N

Compound name

2-aminoethyl pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 166.07423 Da
Monoisotopic Mass: 0.0
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]+	167.08151	133.9
[M+Na]+	189.06345	140.9
[M-H]-	165.06695	135.6
[M+NH4]+	184.10805	152.4
[M+K]+	205.03739	139.5
[M+H-H2O]+	149.07149	126.9
[M+HCOO]-	211.07243	157.6
[M+CH3COO]-	225.08808	178.4
[M+Na-2H]-	187.04890	140.7
[M]+	166.07368	133.6
[M]-	166.07478	133.6

Literature stripe

literature stripe

Patent stripe

patents stripe