CID 53399026

Dtxsid60694540

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1=CC(=C(N=C1)N)C=CC(=O)O

InChI

InChI=1S/C8H8N2O2/c9-8-6(2-1-5-10-8)3-4-7(11)12/h1-5H,(H2,9,10)(H,11,12)

InChIKey

HKUVFKTUMTYXQT-UHFFFAOYSA-N

Compound name

3-(2-aminopyridin-3-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 164.05858 Da
Monoisotopic Mass: 0.5
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]+	165.06586	133.7
[M+Na]+	187.04780	144.7
[M+NH4]+	182.09240	140.4
[M+K]+	203.02174	139.9
[M-H]-	163.05130	134.1
[M+Na-2H]-	185.03325	139.1
[M]+	164.05803	135.0
[M]-	164.05913	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe