CID 5469590

Nsc690574

Structural Information

Molecular Formula

C₅H₆N₆

SMILES

C1=C2C(=C(N=N1)NN)N=CN2

InChI

InChI=1S/C5H6N6/c6-10-5-4-3(1-9-11-5)7-2-8-4/h1-2H,6H2,(H,7,8)(H,10,11)

InChIKey

YCDRRVUBKZEHNP-UHFFFAOYSA-N

Compound name

1H-imidazo[4,5-d]pyridazin-4-ylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 150.0654 Da
Monoisotopic Mass: -1.0
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]+	151.07268	125.5
[M+Na]+	173.05462	136.1
[M-H]-	149.05812	124.1
[M+NH4]+	168.09922	142.9
[M+K]+	189.02856	132.3
[M+H-H2O]+	133.06266	117.2
[M+HCOO]-	195.06360	148.3
[M+CH3COO]-	209.07925	138.5
[M+Na-2H]-	171.04007	136.4
[M]+	150.06485	123.4
[M]-	150.06595	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe