CID 138990957

2309455-01-2

Structural Information

Molecular Formula

C₈H₉N₃O₂

SMILES

C1CNCC2=CC(=NN=C21)C(=O)O

InChI

InChI=1S/C8H9N3O2/c12-8(13)7-3-5-4-9-2-1-6(5)10-11-7/h3,9H,1-2,4H2,(H,12,13)

InChIKey

IJKBKFWIFZWRCS-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydropyrido[4,3-c]pyridazine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.06947 Da
Monoisotopic Mass: -3.1
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]+	180.076746	137.4
[M+Na]+	202.058688	144.7
[M-H]-	178.062194	134.8
[M+NH4]+	197.103293	152.7
[M+K]+	218.032628	141.3
[M+H-H2O]+	162.066730	129.7
[M+HCOO]-	224.067671	151.9
[M+CH3COO]-	238.083321	174.9
[M+Na-2H]-	200.044136	144.6
[M]+	179.06892142	132.7
[M]-	179.07001858	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.