CID 126820

144294-38-2

Structural Information

Molecular Formula

C₈H₇N₃O₂

SMILES

CC1=C(N2C(=N1)C=CC=N2)C(=O)O

InChI

InChI=1S/C8H7N3O2/c1-5-7(8(12)13)11-6(10-5)3-2-4-9-11/h2-4H,1H3,(H,12,13)

InChIKey

WVTKVZAXIUPMNX-UHFFFAOYSA-N

Compound name

2-methylimidazo[1,2-b]pyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 51
Patents: 177.05383 Da
Monoisotopic Mass: 0.6
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]+	178.061106	133.9
[M+Na]+	200.043048	145.5
[M-H]-	176.046554	134.3
[M+NH4]+	195.087653	152.5
[M+K]+	216.016988	142.6
[M+H-H2O]+	160.051090	126.7
[M+HCOO]-	222.052031	155.0
[M+CH3COO]-	236.067681	177.5
[M+Na-2H]-	198.028496	141.0
[M]+	177.05328142	136.4
[M]-	177.05437858	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe