CID 56761632

1322604-60-3

Structural Information

Molecular Formula

C₉H₁₀N₄O₃

SMILES

COC1=NN2C(=NN=C2CCC(=O)O)C=C1

InChI

InChI=1S/C9H10N4O3/c1-16-8-4-2-6-10-11-7(13(6)12-8)3-5-9(14)15/h2,4H,3,5H2,1H3,(H,14,15)

InChIKey

ZYWNQAZDLIXYSC-UHFFFAOYSA-N

Compound name

3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 222.07529 Da
Monoisotopic Mass: -0.2
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]+	223.082566	145.9
[M+Na]+	245.064508	156.9
[M-H]-	221.068014	144.8
[M+NH4]+	240.109113	161.2
[M+K]+	261.038448	154.1
[M+H-H2O]+	205.072550	137.6
[M+HCOO]-	267.073491	165.5
[M+CH3COO]-	281.089141	185.6
[M+Na-2H]-	243.049956	152.4
[M]+	222.07474142	150.7
[M]-	222.07583858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.