CID 258953

2137506-01-3

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

C1=CN=NC=C1CC(C(=O)O)N

InChI

InChI=1S/C7H9N3O2/c8-6(7(11)12)3-5-1-2-9-10-4-5/h1-2,4,6H,3,8H2,(H,11,12)

InChIKey

IOIQFYKCCUDSQT-UHFFFAOYSA-N

Compound name

2-amino-3-pyridazin-4-ylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 167.06947 Da
Monoisotopic Mass: -3.5
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]+	168.07675	134.0
[M+Na]+	190.05869	144.1
[M+NH4]+	185.10329	140.1
[M+K]+	206.03263	140.6
[M-H]-	166.06219	133.5
[M+Na-2H]-	188.04414	139.2
[M]+	167.06892	134.9
[M]-	167.07002	134.9

Literature stripe

literature stripe

Patent stripe

patents stripe